[2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate

Systemtic Name: [2-(2-nitrophenyl)sulfanyl-3-oxidanylidene-cyclohexen-1-yl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Openeye Name: [2-(2-nitrophenyl)sulfanyl-3-oxo-cyclohexen-1-yl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate CAS Name: 2-cyano-3-(4-methoxyphenyl)-2-propenoic acid [2-[(2-nitrophenyl)thio]-3-oxo-1-cyclohexenyl] ester IUPAC Name: [2-(2-nitrophenyl)sulfanyl-3-oxocyclohexen-1-yl] 2-cyano-3-(4-methoxyphenyl)prop-2-enoate Traditional Name: 2-cyano-3-(4-methoxyphenyl)acrylic acid [3-keto-2-[(2-nitrophenyl)thio]cyclohexen-1-yl] ester Formula: C23H18N2O6S MolecularWeight: 450.46382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C=C(C#N)C(=O)OC2=C(C(=O)CCC2)SC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C23H18N2O6S/c1-30-17-11-9-15(10-12-17)13-16(14-24)23(27)31-20-7-4-6-19(26)22(20)32-21-8-3-2-5-18(21)25(28)29/h2-3,5,8-13H,4,6-7H2,1H3