[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C18H15NO5S MolecularWeight: 357.3804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C=CSC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO5S/c1-13-7-8-14(11-16(13)19(22)23)17(20)12-24-18(21)9-10-25-15-5-3-2-4-6-15/h2-11H,12H2,1H3/b10-9+