Chem
J-GLOBAL ID:200907045464089270
Nikkaji number:J696.546F
4-Cyano-2,3-dihydro-1β,2β-(epoxyethano)-1H-pyrido[2,1-b]benzothiazole-3β-carboxylic acid ethyl ester
4-シアノ-2,3-ジヒドロ-1β,2β-(エポキシエタノ)-1H-ピリド[2,1-b]ベンゾチアゾール-3β-カルボン酸エチル
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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:
C17 H16 N2 O3 S
Molecular formula furigana:
C17-H16-N2-O3-S
Molecular weight:
328.390
InChI:
InChI=1S/C17H16N2O3S/c1-2-21-17(20)14-10-7-8-22-15(10)19-12-5-3-4-6-13(12)23-16(19)11(14)9-18/h3-6,10,14-15H,2,7-8H2,1H3/t10-,14+,15-/m0/s1
InChI key:
RLBDBVUXCDUZIO-VQISRLSMSA-N
SMILES:
CCOC(=O)[C@@H]1[C@@H]2CCO[C@@H]2n2c(=C1C#N)sc1ccccc21
Systematic name (3):
4-シアノ-2,3-ジヒドロ-1β,2β-(エポキシエタノ)-1H-ピリド[2,1-b]ベンゾチアゾール-3β-カルボン酸エチル
エチル (2S,6S,7R)-8-シアノ-3-オキサ-10-チア-1-アザテトラシクロ[7.7.0.02,6 .011,16 ]ヘキサデカ-8,11,13,15-テトラエン-7-カルボキシラート
ethyl (2S,6S,7R)-8-cyano-3-oxa-10-thia-1-azatetracyclo[7.7.0.02,6 .011,16 ]hexadeca-8,11,13,15-tetraene-7-carboxylate
Other name (1):
4-Cyano-2,3-dihydro-1β,2β-(epoxyethano)-1H-pyrido[2,1-b]benzothiazole-3β-carboxylic acid ethyl ester
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