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

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-6-methyl-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-6-methyl-1-(phenethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-6-methyl-1-phenethylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-6-methyl-1-(phenethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C29H24ClNO3S2 MolecularWeight: 534.08876

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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)SCCC5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C2C=C(C=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCCC5=CC=CC=C5)C

InChI

InChI=1S/C29H24ClNO3S2/c1-3-34-28(33)23-22-17-18(2)13-15-31(22)25-24(23)27(26(32)20-9-11-21(30)12-10-20)36-29(25)35-16-14-19-7-5-4-6-8-19/h4-13,15,17H,3,14,16H2,1-2H3