[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 3-(4-nitrophenyl)sulfanylpropanoate CAS Name: 3-[(4-nitrophenyl)thio]propanoic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 3-(4-nitrophenyl)sulfanylpropanoate Traditional Name: 3-[(4-nitrophenyl)thio]propionic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)CCSC2=CC=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H19NO5S/c1-13-3-4-15(11-14(13)2)18(21)12-25-19(22)9-10-26-17-7-5-16(6-8-17)20(23)24/h3-8,11H,9-10,12H2,1-2H3