[2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C16H19N3O6S MolecularWeight: 381.40356

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(=O)NC2CCCC2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N3O6S/c1-26-13-7-6-10(8-12(13)19(23)24)15(21)25-9-14(20)18-16(22)17-11-4-2-3-5-11/h6-8,11H,2-5,9H2,1H3,(H2,17,18,20,22)