ethyl (E)-3-[1-cyano-6,8-dimethyl-2-(phenylmethylsulfanyl)indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-cyano-6,8-dimethyl-2-(phenylmethylsulfanyl)indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyano-6,8-dimethyl-indolizin-3-yl)prop-2-enoate CAS Name: (E)-3-[1-cyano-6,8-dimethyl-2-(phenylmethylthio)-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-(2-benzylsulfanyl-1-cyano-6,8-dimethylindolizin-3-yl)prop-2-enoate Traditional Name: (E)-3-[2-(benzylthio)-1-cyano-6,8-dimethyl-indolizin-3-yl]acrylic acid ethyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C=CC1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)/C=C/C1=C(C(=C2N1C=C(C=C2C)C)C#N)SCC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O2S/c1-4-27-21(26)11-10-20-23(28-15-18-8-6-5-7-9-18)19(13-24)22-17(3)12-16(2)14-25(20)22/h5-12,14H,4,15H2,1-3H3/b11-10+