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

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

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)COC(=O)C=CC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H16N2O5S/c1-26-16-8-6-14(7-9-16)19-17(21)12-25-18(22)10-5-13-3-2-4-15(11-13)20(23)24/h2-11H,12H2,1H3,(H,19,21)/b10-5+