2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate

Systemtic Name: 2-[2-oxidanylidene-2-[(3-propoxycarbonylphenyl)amino]ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-oxo-2-[3-[oxo(propoxy)methyl]anilino]ethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-oxo-2-(3-propoxycarbonylanilino)ethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-keto-2-(3-propoxycarbonylanilino)ethyl]thio]pyrimidin-4-olate Formula: C16H16N3O4S- MolecularWeight: 346.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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