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

Systemtic Name: 2-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpyrimidin-4-olate Openeye Name: 2-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]sulfanylpyrimidin-4-olate CAS Name: 2-[[2-(4-methoxycarbonylanilino)-2-oxoethyl]thio]-4-pyrimidinolate IUPAC Name: 2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidin-4-olate Traditional Name: 2-[[2-(4-carbomethoxyanilino)-2-keto-ethyl]thio]pyrimidin-4-olate Formula: C14H12N3O4S- MolecularWeight: 318.32778

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13N3O4S/c1-21-13(20)9-2-4-10(5-3-9)16-12(19)8-22-14-15-7-6-11(18)17-14/h2-7H,8H2,1H3,(H,16,19)(H,15,17,18)/p-1