[2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-nitrophenyl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[2-oxidanylidene-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-nitrophenyl)sulfanylethanoate Openeye Name: [2-[[2-(isopropylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-(2-nitrophenyl)sulfanylacetate CAS Name: 2-[(2-nitrophenyl)thio]acetic acid [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]ethyl] 2-(2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(2-nitrophenyl)thio]acetic acid [2-[[2-(isopropylamino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C15H19N3O6S MolecularWeight: 369.39286

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CNC(=O)COC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CNC(=O)COC(=O)CSC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C15H19N3O6S/c1-10(2)17-13(19)7-16-14(20)8-24-15(21)9-25-12-6-4-3-5-11(12)18(22)23/h3-6,10H,7-9H2,1-2H3,(H,16,20)(H,17,19)