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

Systemtic Name: methyl (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[3-nitro-4-(p-tolylsulfanyl)phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-[(4-methylphenyl)thio]-3-nitrophenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitrophenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[3-nitro-4-(p-tolylthio)phenyl]acrylic acid methyl ester Formula: C18H14N2O4S MolecularWeight: 354.37976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H14N2O4S/c1-12-3-6-15(7-4-12)25-17-8-5-13(10-16(17)20(22)23)9-14(11-19)18(21)24-2/h3-10H,1-2H3/b14-9+