ethyl 6-methyl-3-(phenylcarbonyl)-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 6-methyl-3-(phenylcarbonyl)-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-6-methyl-1-sulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-mercapto-6-methyl-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-6-methyl-1-sulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-mercapto-6-methyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H17NO3S2 MolecularWeight: 395.49458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)S)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=CC=C4)S)C

InChI

InChI=1S/C21H17NO3S2/c1-3-25-20(24)15-14-11-12(2)9-10-22(14)17-16(15)19(27-21(17)26)18(23)13-7-5-4-6-8-13/h4-11,26H,3H2,1-2H3