ethyl (E)-3-[1-cyano-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-cyano-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-cyano-2-(p-tolylmethylsulfanyl)indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[1-cyano-2-[(4-methylphenyl)methylthio]-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-cyano-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-cyano-2-[(4-methylbenzyl)thio]indolizin-3-yl]acrylic acid ethyl ester Formula: C22H20N2O2S MolecularWeight: 376.4714

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=C2N1C=CC=C2)C#N)SCC3=CC=C(C=C3)C

InChI

InChI=1S/C22H20N2O2S/c1-3-26-21(25)12-11-20-22(27-15-17-9-7-16(2)8-10-17)18(14-23)19-6-4-5-13-24(19)20/h4-13H,3,15H2,1-2H3/b12-11+