[2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(3-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(3-ethylanilino)-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-(3-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-ethylanilino)-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(3-ethylanilino)-2-keto-ethyl] ester Formula: C19H21N3O7S2 MolecularWeight: 467.51594

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC(=CC=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O7S2/c1-3-13-5-4-6-14(9-13)21-18(23)12-29-19(24)11-20-31(27,28)15-7-8-17(30-2)16(10-15)22(25)26/h4-10,20H,3,11-12H2,1-2H3,(H,21,23)