[2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(phenylmethyl)amino]ethyl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [2-(benzylamino)-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [2-oxo-2-[(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-(benzylamino)-2-oxoethyl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [2-(benzylamino)-2-keto-ethyl] ester Formula: C17H16N2O5S MolecularWeight: 360.38434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O5S/c20-16(18-10-13-4-2-1-3-5-13)11-24-17(21)12-25-15-8-6-14(7-9-15)19(22)23/h1-9H,10-12H2,(H,18,20)