ethyl (E)-2-cyano-3-[3-[2-(4-methylphenyl)sulfanylethanoyloxy]phenyl]prop-2-enoate

Systemtic Name: ethyl (E)-2-cyano-3-[3-[2-(4-methylphenyl)sulfanylethanoyloxy]phenyl]prop-2-enoate Openeye Name: ethyl (E)-2-cyano-3-[3-[2-(p-tolylsulfanyl)acetyl]oxyphenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[3-[2-[(4-methylphenyl)thio]-1-oxoethoxy]phenyl]-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-2-cyano-3-[3-[2-(4-methylphenyl)sulfanylacetyl]oxyphenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-[2-(p-tolylthio)acetyl]oxyphenyl]acrylic acid ethyl ester Formula: C21H19NO4S MolecularWeight: 381.44486

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CC(=CC=C1)OC(=O)CSC2=CC=C(C=C2)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C/C1=CC(=CC=C1)OC(=O)CSC2=CC=C(C=C2)C)/C#N

InChI

InChI=1S/C21H19NO4S/c1-3-25-21(24)17(13-22)11-16-5-4-6-18(12-16)26-20(23)14-27-19-9-7-15(2)8-10-19/h4-12H,3,14H2,1-2H3/b17-11+