2-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(4-propan-2-yloxycarbonylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-isopropoxycarbonylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[4-[oxo(propan-2-yloxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-isopropoxycarbonylanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CC(=N2)[O-]

InChI

InChI=1S/C16H17N3O4S/c1-10(2)23-15(22)11-3-5-12(6-4-11)18-14(21)9-24-16-17-8-7-13(20)19-16/h3-8,10H,9H2,1-2H3,(H,18,21)(H,17,19,20)/p-1