[1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate

Systemtic Name: [1-(cyclopentylamino)-1-oxidanylidene-propan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitro-benzoate Openeye Name: [2-(cyclopentylamino)-1-methyl-2-oxo-ethyl] 3-nitro-4-(p-tolylsulfanyl)benzoate CAS Name: 4-[(4-methylphenyl)thio]-3-nitrobenzoic acid [1-(cyclopentylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclopentylamino)-1-oxopropan-2-yl] 4-(4-methylphenyl)sulfanyl-3-nitrobenzoate Traditional Name: 3-nitro-4-(p-tolylthio)benzoic acid [2-(cyclopentylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H24N2O5S MolecularWeight: 428.50136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C=C(C=C2)C(=O)OC(C)C(=O)NC3CCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5S/c1-14-7-10-18(11-8-14)30-20-12-9-16(13-19(20)24(27)28)22(26)29-15(2)21(25)23-17-5-3-4-6-17/h7-13,15,17H,3-6H2,1-2H3,(H,23,25)