[1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate

Systemtic Name: [1-(tert-butylamino)-1-oxidanylidene-propan-2-yl] 4-methylsulfanyl-2-[(3-nitrophenyl)carbonylamino]butanoate Openeye Name: [2-(tert-butylamino)-1-methyl-2-oxo-ethyl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate CAS Name: 4-(methylthio)-2-[[(3-nitrophenyl)-oxomethyl]amino]butanoic acid [1-(tert-butylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(tert-butylamino)-1-oxopropan-2-yl] 4-methylsulfanyl-2-[(3-nitrobenzoyl)amino]butanoate Traditional Name: 4-(methylthio)-2-[(3-nitrobenzoyl)amino]butyric acid [2-(tert-butylamino)-2-keto-1-methyl-ethyl] ester Formula: C19H27N3O6S MolecularWeight: 425.49918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(C)(C)C)OC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC(C)(C)C)OC(=O)C(CCSC)NC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C19H27N3O6S/c1-12(16(23)21-19(2,3)4)28-18(25)15(9-10-29-5)20-17(24)13-7-6-8-14(11-13)22(26)27/h6-8,11-12,15H,9-10H2,1-5H3,(H,20,24)(H,21,23)