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

Systemtic Name: methyl (E)-2-cyano-3-[3-[2-(4-methylphenyl)sulfanylethanoyloxy]phenyl]prop-2-enoate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C20H17NO4S MolecularWeight: 367.41828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)OC2=CC=CC(=C2)C=C(C#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)OC2=CC=CC(=C2)/C=C(\C#N)/C(=O)OC

InChI

InChI=1S/C20H17NO4S/c1-14-6-8-18(9-7-14)26-13-19(22)25-17-5-3-4-15(11-17)10-16(12-21)20(23)24-2/h3-11H,13H2,1-2H3/b16-10+