[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C18H16N2O5S MolecularWeight: 372.39504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)COC(=O)C=CC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-26-16-5-3-2-4-15(16)19-17(21)12-25-18(22)11-8-13-6-9-14(10-7-13)20(23)24/h2-11H,12H2,1H3,(H,19,21)/b11-8+