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

Systemtic Name: ethyl (E)-3-[1-cyano-2-(phenylmethylsulfanyl)indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyano-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-cyano-2-(phenylmethylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyanoindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-1-cyano-indolizin-3-yl]acrylic acid ethyl ester Formula: C21H18N2O2S MolecularWeight: 362.44482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O2S/c1-2-25-20(24)12-11-19-21(26-15-16-8-4-3-5-9-16)17(14-22)18-10-6-7-13-23(18)19/h3-13H,2,15H2,1H3/b12-11+