ethyl (E)-3-[1-cyano-6,8-dimethyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-cyano-6,8-dimethyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-cyano-6,8-dimethyl-2-(p-tolylmethylsulfanyl)indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[1-cyano-6,8-dimethyl-2-[(4-methylphenyl)methylthio]-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-cyano-6,8-dimethyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-cyano-6,8-dimethyl-2-[(4-methylbenzyl)thio]indolizin-3-yl]acrylic acid ethyl ester Formula: C24H24N2O2S MolecularWeight: 404.52456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H24N2O2S/c1-5-28-22(27)11-10-21-24(29-15-19-8-6-16(2)7-9-19)20(13-25)23-18(4)12-17(3)14-26(21)23/h6-12,14H,5,15H2,1-4H3/b11-10+