methyl 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: methyl 3-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: methyl 3-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-(3-nitrophenyl)-2-oxoethyl]thio]propanoic acid methyl ester IUPAC Name: methyl 3-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylpropanoate Traditional Name: 3-[[2-keto-2-(3-nitrophenyl)ethyl]thio]propionic acid methyl ester Formula: C12H13NO5S MolecularWeight: 283.30032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCSCC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H13NO5S/c1-18-12(15)5-6-19-8-11(14)9-3-2-4-10(7-9)13(16)17/h2-4,7H,5-6,8H2,1H3