[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] (2S)-2-[(3-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-nitrophenyl)-oxomethyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] (2S)-2-[(3-nitrobenzoyl)amino]propanoate Traditional Name: (2S)-2-[(3-nitrobenzoyl)amino]propionic acid [2-keto-2-[2-(methylthio)anilino]ethyl] ester Formula: C19H19N3O6S MolecularWeight: 417.43566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=CC=CC=C1SC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=CC=CC=C1SC)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-12(20-18(24)13-6-5-7-14(10-13)22(26)27)19(25)28-11-17(23)21-15-8-3-4-9-16(15)29-2/h3-10,12H,11H2,1-2H3,(H,20,24)(H,21,23)/t12-/m0/s1