6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate

Systemtic Name: 6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Openeye Name: 6-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate CAS Name: 6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-4-pyrimidinolate IUPAC Name: 6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-2-(m-anisylthio)pyrimidin-4-olate Formula: C22H20N3O5S- MolecularWeight: 438.4763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=CC(=C1)CSC2=NC(=CC(=N2)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C22H21N3O5S/c1-29-18-5-3-4-14(10-18)13-31-22-24-17(12-20(27)25-22)11-19(26)23-16-8-6-15(7-9-16)21(28)30-2/h3-10,12H,11,13H2,1-2H3,(H,23,26)(H,24,25,27)/p-1