ethyl 3-(4-chlorophenyl)carbonyl-1-(2-oxidanylidenepropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-(2-oxidanylidenepropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-acetonylsulfanyl-3-(4-chlorobenzoyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(2-oxopropylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-(2-oxopropylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(acetonylthio)-3-(4-chlorobenzoyl)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H18ClNO4S2 MolecularWeight: 471.97632

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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)SCC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C23H18ClNO4S2/c1-3-29-22(28)17-16-6-4-5-11-25(16)19-18(17)21(31-23(19)30-12-13(2)26)20(27)14-7-9-15(24)10-8-14/h4-11H,3,12H2,1-2H3