[1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate

Systemtic Name: [1-(cyclopropylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]ethanoate Openeye Name: [2-(cyclopropylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-[(4-methylsulfanyl-3-nitro-phenyl)sulfonylamino]acetate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]sulfonylamino]acetic acid [1-[[(cyclopropylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopropylcarbamoylamino)-1-oxopropan-2-yl] 2-[(4-methylsulfanyl-3-nitrophenyl)sulfonylamino]acetate Traditional Name: 2-[[4-(methylthio)-3-nitro-phenyl]sulfonylamino]acetic acid [2-(cyclopropylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H20N4O8S2 MolecularWeight: 460.482

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CC1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CC1)OC(=O)CNS(=O)(=O)C2=CC(=C(C=C2)SC)[N+](=O)[O-]

InChI

InChI=1S/C16H20N4O8S2/c1-9(15(22)19-16(23)18-10-3-4-10)28-14(21)8-17-30(26,27)11-5-6-13(29-2)12(7-11)20(24)25/h5-7,9-10,17H,3-4,8H2,1-2H3,(H2,18,19,22,23)