ethyl 3-(4-chlorophenyl)carbonyl-6-methyl-1-phenacylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-6-methyl-1-phenacylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-phenacylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-6-methyl-1-(phenacylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-phenacylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-6-methyl-1-(phenacylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H22ClNO4S2 MolecularWeight: 548.07228

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC(=O)C5=CC=CC=C5)C

InChI

InChI=1S/C29H22ClNO4S2/c1-3-35-28(34)23-21-15-17(2)13-14-31(21)25-24(23)27(26(33)19-9-11-20(30)12-10-19)37-29(25)36-16-22(32)18-7-5-4-6-8-18/h4-15H,3,16H2,1-2H3