[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 2-phenylsulfanylethanoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 2-phenylsulfanylacetate CAS Name: 2-(phenylthio)acetic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 2-phenylsulfanylacetate Traditional Name: 2-(phenylthio)acetic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C17H15NO5S MolecularWeight: 345.3697

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15NO5S/c1-12-7-8-13(9-15(12)18(21)22)16(19)10-23-17(20)11-24-14-5-3-2-4-6-14/h2-9H,10-11H2,1H3