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

Systemtic Name: ethyl 3-(4-bromophenyl)carbonyl-1-(2-cyanoethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-(4-bromobenzoyl)-1-(2-cyanoethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-[(4-bromophenyl)-oxomethyl]-1-(2-cyanoethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-(4-bromobenzoyl)-1-(2-cyanoethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-(4-bromobenzoyl)-1-(2-cyanoethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H17BrN2O3S2 MolecularWeight: 513.42668

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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)Br)SCCC#N

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C(=O)C4=CC=C(C=C4)Br)SCCC#N

InChI

InChI=1S/C23H17BrN2O3S2/c1-2-29-22(28)17-16-6-3-4-12-26(16)19-18(17)21(31-23(19)30-13-5-11-25)20(27)14-7-9-15(24)10-8-14/h3-4,6-10,12H,2,5,13H2,1H3