tert-butyl 2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-pyridin-2-yl-butanoate

Systemtic Name: tert-butyl 2-[(2-nitrophenyl)sulfanylamino]-4-oxidanylidene-4-pyridin-2-yl-butanoate Openeye Name: tert-butyl 2-[(2-nitrophenyl)sulfanylamino]-4-oxo-4-(2-pyridyl)butanoate CAS Name: 2-[[(2-nitrophenyl)thio]amino]-4-oxo-4-(2-pyridinyl)butanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(2-nitrophenyl)sulfanylamino]-4-oxo-4-pyridin-2-ylbutanoate Traditional Name: 4-keto-2-[[(2-nitrophenyl)thio]amino]-4-(2-pyridyl)butyric acid tert-butyl ester Formula: C19H21N3O5S MolecularWeight: 403.45214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(CC(=O)C1=CC=CC=N1)NSC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C(CC(=O)C1=CC=CC=N1)NSC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O5S/c1-19(2,3)27-18(24)14(12-16(23)13-8-6-7-11-20-13)21-28-17-10-5-4-9-15(17)22(25)26/h4-11,14,21H,12H2,1-3H3