Chem
J-GLOBAL ID：201307028143117060
Nikkaji number：J3.175.925K
(3S,3′R)-2,3′′-Dioxo-1′-methyl-4′′-(4-methylphenyl)-5′′-morpholinodispiro[indoline-3,2′-pyrrolidine-3′,2′′(3′′H)-thiophene]-4′α-carboxylic acid methyl ester
(3S,3′R)-2,3′′-ジオキソ-1′-メチル-4′′-(4-メチルフェニル)-5′′-モルホリノジスピロ[インドリン-3,2′-ピロリジン-3′,2′′(3′′H)-チオフェン]-4′α-カルボン酸メチル
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Molecular formula： C28H29N3O5S
Molecular formula furigana： C28-H29-N3-O5-S
Molecular weight： 519.620
InChI：
InChI=1S/C28H29N3O5S/c1-17-8-10-18(11-9-17)22-23(32)28(37-24(22)31-12-14-36-15-13-31)20(25(33)35-3)16-30(2)27(28)19-6-4-5-7-21(19)29-26(27)34/h4-11,20H,12-16H2,1-3H3,(H,29,34)/t20-,27-,28-/m0/s1
InChI key：
JDJVPSJMBPFPMC-IIZLTXOPSA-N
SMILES：
COC(=O)[C@@H]1CN(C)[C@@]2(C(=O)Nc3ccccc23)[C@@]21SC(=C(C2=O)c1ccc(C)cc1)N1CCOCC1
Systematic name (3)：
- (3S,3′R)-2,3′′-ジオキソ-1′-メチル-4′′-(4-メチルフェニル)-5′′-モルホリノジスピロ[インドリン-3,2′-ピロリジン-3′,2′′(3′′H)-チオフェン]-4′α-カルボン酸メチル
- メチル (3S,3'R,4'S)-1'-メチル-4''-(4-メチルフェニル)-5''-(モルホリン-4-イル)-2,3''-ジオキソ-1,2-ジヒドロ-3''H-ジスピロ[インドール-3,2'-ピロリジン-3',2''-チオフェン]-4'-カルボキシラート
- methyl (3S,3'R,4'S)-1'-methyl-4''-(4-methylphenyl)-5''-(morpholin-4-yl)-2,3''-dioxo-1,2-dihydro-3''H-dispiro[indole-3,2'-pyrrolidine-3',2''-thiophene]-4'-carboxylate
- (3S,3′R)-2,3′′-Dioxo-1′-methyl-4′′-(4-methylphenyl)-5′′-morpholinodispiro[indoline-3,2′-pyrrolidine-3′,2′′(3′′H)-thiophene]-4′α-carboxylic acid methyl ester
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