[(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[(2-ethoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-nitrophenyl)sulfanylethanoate Openeye Name: [(1S)-2-(2-ethoxyanilino)-1-methyl-2-oxo-ethyl] 2-(4-nitrophenyl)sulfanylacetate CAS Name: 2-[(4-nitrophenyl)thio]acetic acid [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-ethoxyanilino)-1-oxopropan-2-yl] 2-(4-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-nitrophenyl)thio]acetic acid [(1S)-2-keto-1-methyl-2-(o-phenetidino)ethyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1NC(=O)C(C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1NC(=O)[C@H](C)OC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-3-26-17-7-5-4-6-16(17)20-19(23)13(2)27-18(22)12-28-15-10-8-14(9-11-15)21(24)25/h4-11,13H,3,12H2,1-2H3,(H,20,23)/t13-/m0/s1