[2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-chlorophenyl)sulfanylethylamino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[2-[(4-chlorophenyl)thio]ethylamino]-2-keto-ethyl] ester Formula: C17H15ClN2O5S MolecularWeight: 394.8294

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)OCC(=O)NCCSC2=CC=C(C=C2)Cl

InChI

InChI=1S/C17H15ClN2O5S/c18-13-4-6-15(7-5-13)26-9-8-19-16(21)11-25-17(22)12-2-1-3-14(10-12)20(23)24/h1-7,10H,8-9,11H2,(H,19,21)