[1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate

Systemtic Name: [1-(cyclopentylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-1-methyl-2-oxo-ethyl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid [1-[[(cyclopentylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylcarbamoylamino)-1-oxopropan-2-yl] 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H22N6O6S MolecularWeight: 462.47958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCC1)OC(=O)C2=CC(=C(C=C2)SC3=NN=CN3C)[N+](=O)[O-]

InChI

InChI=1S/C19H22N6O6S/c1-11(16(26)22-18(28)21-13-5-3-4-6-13)31-17(27)12-7-8-15(14(9-12)25(29)30)32-19-23-20-10-24(19)2/h7-11,13H,3-6H2,1-2H3,(H2,21,22,26,28)