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

Systemtic Name: ethyl 3-cyano-6-methyl-1-(phenylmethylsulfanyl)thieno[3,4-b]indolizine-4-carboxylate Openeye Name: ethyl 1-benzylsulfanyl-3-cyano-6-methyl-thieno[3,4-b]indolizine-4-carboxylate CAS Name: 3-cyano-6-methyl-1-(phenylmethylthio)-4-thieno[3,4-b]indolizinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzylsulfanyl-3-cyano-6-methylthieno[3,4-b]indolizine-4-carboxylate Traditional Name: 1-(benzylthio)-3-cyano-6-methyl-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=C(C=CN2C3=C(SC(=C13)C#N)SCC4=CC=CC=C4)C

Isomeric SMILES

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

InChI

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