ethyl 3-cyano-5,7-dimethyl-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-cyano-5,7-dimethyl-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-benzylsulfanyl-3-cyano-5,7-dimethyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-5,7-dimethyl-1-(phenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylsulfanyl-3-cyano-5,7-dimethylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(benzylthio)-3-cyano-5,7-dimethyl-thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C23H20N2O2S2 MolecularWeight: 420.5471

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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)C)C

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O2S2/c1-4-27-22(26)19-18-17(11-24)29-23(28-13-16-8-6-5-7-9-16)21(18)25-12-14(2)10-15(3)20(19)25/h5-10,12H,4,13H2,1-3H3