6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-(phenylmethylsulfanyl)pyrimidin-4-olate Openeye Name: 2-benzylsulfanyl-6-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-(phenylmethylthio)-4-pyrimidinolate IUPAC Name: 2-benzylsulfanyl-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 2-(benzylthio)-6-[2-(4-carbomethoxyanilino)-2-keto-ethyl]pyrimidin-4-olate Formula: C21H18N3O4S- MolecularWeight: 408.45032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CC2=CC(=NC(=N2)SCC3=CC=CC=C3)[O-]

InChI

InChI=1S/C21H19N3O4S/c1-28-20(27)15-7-9-16(10-8-15)22-18(25)11-17-12-19(26)24-21(23-17)29-13-14-5-3-2-4-6-14/h2-10,12H,11,13H2,1H3,(H,22,25)(H,23,24,26)/p-1