ethyl (E)-3-[1-cyano-7-methyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate

Systemtic Name: ethyl (E)-3-[1-cyano-7-methyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Openeye Name: ethyl (E)-3-[1-cyano-7-methyl-2-(p-tolylmethylsulfanyl)indolizin-3-yl]prop-2-enoate CAS Name: (E)-3-[1-cyano-7-methyl-2-[(4-methylphenyl)methylthio]-3-indolizinyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[1-cyano-7-methyl-2-[(4-methylphenyl)methylsulfanyl]indolizin-3-yl]prop-2-enoate Traditional Name: (E)-3-[1-cyano-7-methyl-2-[(4-methylbenzyl)thio]indolizin-3-yl]acrylic acid ethyl ester Formula: C23H22N2O2S MolecularWeight: 390.49798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O2S/c1-4-27-22(26)10-9-20-23(28-15-18-7-5-16(2)6-8-18)19(14-24)21-13-17(3)11-12-25(20)21/h5-13H,4,15H2,1-3H3/b10-9+