[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(3-methylbutylsulfanyl)-3-nitro-benzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-isopentylsulfanyl-3-nitro-benzoate CAS Name: 4-(3-methylbutylthio)-3-nitrobenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(3-methylbutylsulfanyl)-3-nitrobenzoate Traditional Name: 4-(isoamylthio)-3-nitro-benzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C17H24N2O5S MolecularWeight: 368.44786

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C)CCSC1=C(C=C(C=C1)C(=O)OCC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C17H24N2O5S/c1-11(2)7-8-25-15-6-5-13(9-14(15)19(22)23)17(21)24-10-16(20)18-12(3)4/h5-6,9,11-12H,7-8,10H2,1-4H3,(H,18,20)