ethyl 3-(4-chlorophenyl)carbonyl-1-(naphthalen-1-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-(naphthalen-1-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-(1-naphthylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(1-naphthalenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-(naphthalen-1-ylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-(1-naphthylmethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C31H22ClNO3S2 MolecularWeight: 556.09428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC5=CC=CC6=CC=CC=C65

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Cl)SCC5=CC=CC6=CC=CC=C65

InChI

InChI=1S/C31H22ClNO3S2/c1-2-36-30(35)25-24-12-5-6-17-33(24)27-26(25)29(28(34)20-13-15-22(32)16-14-20)38-31(27)37-18-21-10-7-9-19-8-3-4-11-23(19)21/h3-17H,2,18H2,1H3