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

Systemtic Name: ethyl 3-cyano-5,7-dimethyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-cyano-5,7-dimethyl-1-(p-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-5,7-dimethyl-1-[(4-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-5,7-dimethyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-cyano-5,7-dimethyl-1-[(4-methylbenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C24H22N2O2S2 MolecularWeight: 434.57368

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22N2O2S2/c1-5-28-23(27)20-19-18(11-25)30-24(29-13-17-8-6-14(2)7-9-17)22(19)26-12-15(3)10-16(4)21(20)26/h6-10,12H,5,13H2,1-4H3