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

Systemtic Name: ethyl 1-(2-cyanoethylsulfanyl)-3-(phenylcarbonyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-benzoyl-1-(2-cyanoethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-benzoyl-1-(2-cyanoethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-benzoyl-1-(2-cyanoethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-benzoyl-1-(2-cyanoethylthio)thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H18N2O3S2 MolecularWeight: 434.53062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H18N2O3S2/c1-2-28-22(27)17-16-11-6-7-13-25(16)19-18(17)21(30-23(19)29-14-8-12-24)20(26)15-9-4-3-5-10-15/h3-7,9-11,13H,2,8,14H2,1H3