[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-methylsulfanyl-butanoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 2-[(2-chloro-4-nitro-benzoyl)amino]-4-methylsulfanyl-butanoate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-4-(methylthio)butanoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 2-[(2-chloro-4-nitrobenzoyl)amino]-4-methylsulfanylbutanoate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-4-(methylthio)butyric acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H26ClN3O6S MolecularWeight: 471.95494

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC1)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C(=O)NC1CCCC1)OC(=O)C(CCSC)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H26ClN3O6S/c1-12(18(25)22-13-5-3-4-6-13)30-20(27)17(9-10-31-2)23-19(26)15-8-7-14(24(28)29)11-16(15)21/h7-8,11-13,17H,3-6,9-10H2,1-2H3,(H,22,25)(H,23,26)