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

Systemtic Name: ethyl (E)-2-cyano-3-[4-(4-methylphenyl)sulfanyl-3-nitro-phenyl]prop-2-enoate Openeye Name: ethyl (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 ethyl ester IUPAC Name: ethyl (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 ethyl ester Formula: C19H16N2O4S MolecularWeight: 368.40634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16N2O4S/c1-3-25-19(22)15(12-20)10-14-6-9-18(17(11-14)21(23)24)26-16-7-4-13(2)5-8-16/h4-11H,3H2,1-2H3/b15-10+