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

Systemtic Name: ethyl 3-(4-chlorophenyl)carbonyl-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-chlorobenzoyl)-1-phenethylsulfanyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-chlorophenyl)-oxomethyl]-1-(phenethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-chlorobenzoyl)-1-phenethylsulfanylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-chlorobenzoyl)-1-(phenethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C28H22ClNO3S2 MolecularWeight: 520.06218

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H22ClNO3S2/c1-2-33-27(32)22-21-10-6-7-16-30(21)24-23(22)26(25(31)19-11-13-20(29)14-12-19)35-28(24)34-17-15-18-8-4-3-5-9-18/h3-14,16H,2,15,17H2,1H3