[(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate

Systemtic Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxidanylidene-propan-2-yl] 2-(4-aminocarbonyl-2-nitro-phenyl)sulfanylethanoate Openeye Name: [(1S)-2-(diisopropylamino)-1-methyl-2-oxo-ethyl] 2-(4-carbamoyl-2-nitro-phenyl)sulfanylacetate CAS Name: 2-[(4-carbamoyl-2-nitrophenyl)thio]acetic acid [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(4-carbamoyl-2-nitrophenyl)sulfanylacetate Traditional Name: 2-[(4-carbamoyl-2-nitro-phenyl)thio]acetic acid [(1S)-2-(diisopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H25N3O6S MolecularWeight: 411.4726

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N(C(C)C)C(=O)C(C)OC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)N(C(C)C)C(C)C)OC(=O)CSC1=C(C=C(C=C1)C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C18H25N3O6S/c1-10(2)20(11(3)4)18(24)12(5)27-16(22)9-28-15-7-6-13(17(19)23)8-14(15)21(25)26/h6-8,10-12H,9H2,1-5H3,(H2,19,23)/t12-/m0/s1