[2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(4-methoxyphenyl)carbonylamino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-[(4-methoxybenzoyl)amino]-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-[[(4-methoxyphenyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-methoxybenzoyl)amino]-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-(p-anisoylamino)ethyl] ester Formula: C19H19N3O9S2 MolecularWeight: 497.49886

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C19H19N3O9S2/c1-30-13-5-3-12(4-6-13)19(25)21-17(23)11-31-18(24)10-20-33(28,29)14-7-8-16(32-2)15(9-14)22(26)27/h3-9,20H,10-11H2,1-2H3,(H,21,23,25)