ethyl 3-cyano-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-cyano-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-benzylsulfanyl-3-cyano-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-1-(phenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylsulfanyl-3-cyanothieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(benzylthio)-3-cyano-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C#N)SCC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C2C=CC=CN2C3=C(SC(=C13)C#N)SCC4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S2/c1-2-25-20(24)17-15-10-6-7-11-23(15)19-18(17)16(12-22)27-21(19)26-13-14-8-4-3-5-9-14/h3-11H,2,13H2,1H3