Chem
J-GLOBAL ID:200907061322491246
Nikkaji number:J2.612.699A
(4S)-2-[2-Oxo-7-(diethylamino)-2H-1-benzopyran-3-yl]tetrahydro-2H-1,3-thiazine-4α-carboxylic acid
(4S)-2-[7-(ジエチルアミノ)-2-オキソ-2H-クロメン-3-イル]-1,3-チアジナン-4-カルボン酸
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Substance type:
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
Molecular formula:
C18 H22 N2 O4 S
Molecular formula furigana:
C18-H22-N2-O4-S
Molecular weight:
362.440
InChI:
InChI=1S/C18H22N2O4S/c1-3-20(4-2)12-6-5-11-9-13(18(23)24-15(11)10-12)16-19-14(17(21)22)7-8-25-16/h5-6,9-10,14,16,19H,3-4,7-8H2,1-2H3,(H,21,22)/t14-,16?/m0/s1
InChI key:
KIBAMFFVTBVYRR-LBAUFKAWSA-N
SMILES:
CCN(CC)c1ccc2cc(C3N[C@@H](CCS3)C(=O)O)c(=O)oc2c1
Systematic name (3):
(4S)-2-[2-オキソ-7-(ジエチルアミノ)-2H-1-ベンゾピラン-3-イル]テトラヒドロ-2H-1,3-チアジン-4α-カルボン酸
(4S)-2-[7-(ジエチルアミノ)-2-オキソ-2H-クロメン-3-イル]-1,3-チアジナン-4-カルボン酸
(4S)-2-[7-(diethylamino)-2-oxo-2H-chromen-3-yl]-1,3-thiazinane-4-carboxylic acid
Other name (1):
(4S)-2-[2-Oxo-7-(diethylamino)-2H-1-benzopyran-3-yl]tetrahydro-2H-1,3-thiazine-4α-carboxylic acid
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