[2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: [2-[(2-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl] 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: [2-(2-methylsulfanylanilino)-2-oxo-ethyl] 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid [2-[2-(methylthio)anilino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylsulfanylanilino)-2-oxoethyl] 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-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:

CSC1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O6S/c1-29-16-5-3-2-4-15(16)21-17(23)12-28-18(24)10-11-20-19(25)13-6-8-14(9-7-13)22(26)27/h2-9H,10-12H2,1H3,(H,20,25)(H,21,23)