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

Systemtic Name: [2-(cyclopentylcarbamoylamino)-2-oxidanylidene-ethyl] 2-(4-methylsulfanyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-(cyclopentylcarbamoylamino)-2-oxo-ethyl] 2-(4-methylsulfanyl-3-nitro-benzoyl)benzoate CAS Name: 2-[[4-(methylthio)-3-nitrophenyl]-oxomethyl]benzoic acid [2-[[(cyclopentylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(cyclopentylcarbamoylamino)-2-oxoethyl] 2-(4-methylsulfanyl-3-nitrobenzoyl)benzoate Traditional Name: 2-[4-(methylthio)-3-nitro-benzoyl]benzoic acid [2-(cyclopentylcarbamoylamino)-2-keto-ethyl] ester Formula: C23H23N3O7S MolecularWeight: 485.50962

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CSC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC(=O)NC(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C23H23N3O7S/c1-34-19-11-10-14(12-18(19)26(31)32)21(28)16-8-4-5-9-17(16)22(29)33-13-20(27)25-23(30)24-15-6-2-3-7-15/h4-5,8-12,15H,2-3,6-7,13H2,1H3,(H2,24,25,27,30)