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

Systemtic Name: ethyl 3-cyano-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 3-cyano-1-(p-tolylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-1-[(4-methylphenyl)methylthio]-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-cyano-1-[(4-methylphenyl)methylsulfanyl]thieno[3,4-b]indolizine-4-carboxylate Traditional Name: 3-cyano-1-[(4-methylbenzyl)thio]thien[3,4-b]indolizine-4-carboxylic acid ethyl ester Formula: C22H18N2O2S2 MolecularWeight: 406.52052

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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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N2O2S2/c1-3-26-21(25)18-16-6-4-5-11-24(16)20-19(18)17(12-23)28-22(20)27-13-15-9-7-14(2)8-10-15/h4-11H,3,13H2,1-2H3