ethyl (E)-3-[1-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-cyano-7-methyl-2-(phenylmethylsulfanyl)indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyano-7-methyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-cyano-7-methyl-2-(phenylmethylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyano-7-methylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-1-cyano-7-methyl-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)C#N)SCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O2S/c1-3-26-21(25)10-9-19-22(27-15-17-7-5-4-6-8-17)18(14-23)20-13-16(2)11-12-24(19)20/h4-13H,3,15H2,1-2H3/b10-9+