[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxidanylidene-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-[(3-methylisoxazol-5-yl)amino]-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [2-[(3-methyl-5-isoxazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-keto-2-[(3-methylisoxazol-5-yl)amino]ethyl] ester Formula: C15H16N4O8S2 MolecularWeight: 444.43954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)NC(=O)COC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H16N4O8S2/c1-9-5-14(27-18-9)17-13(20)8-26-15(21)7-16-29(24,25)10-3-4-12(28-2)11(6-10)19(22)23/h3-6,16H,7-8H2,1-2H3,(H,17,20)