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

Systemtic Name: [2-oxidanylidene-2-(pentan-3-ylamino)ethyl] 4-methylsulfanyl-3-nitro-benzoate Openeye Name: [2-(1-ethylpropylamino)-2-oxo-ethyl] 4-methylsulfanyl-3-nitro-benzoate CAS Name: 4-(methylthio)-3-nitrobenzoic acid [2-oxo-2-(pentan-3-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(pentan-3-ylamino)ethyl] 4-methylsulfanyl-3-nitrobenzoate Traditional Name: 4-(methylthio)-3-nitro-benzoic acid [2-(1-ethylpropylamino)-2-keto-ethyl] ester Formula: C15H20N2O5S MolecularWeight: 340.3947

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

Isomeric SMILES

CCC(CC)NC(=O)COC(=O)C1=CC(=C(C=C1)SC)[N+](=O)[O-]

InChI

InChI=1S/C15H20N2O5S/c1-4-11(5-2)16-14(18)9-22-15(19)10-6-7-13(23-3)12(8-10)17(20)21/h6-8,11H,4-5,9H2,1-3H3,(H,16,18)