ethyl 3-cyano-6-methyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate

Systemtic Name: ethyl 3-cyano-6-methyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-cyano-6-methyl-1-(p-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-6-methyl-1-[(4-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-6-methyl-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-cyano-6-methyl-1-[(4-methylbenzyl)thio]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=C(C=CN2C3=C(SC(=C13)C#N)SCC4=CC=C(C=C4)C)C

Isomeric SMILES

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

InChI

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