5-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate

Systemtic Name: 5-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate Openeye Name: 5-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-pyrimidin-4-olate CAS Name: 5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylthio]-6-methyl-4-pyrimidinolate IUPAC Name: 5-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-2-[(3-methoxyphenyl)methylsulfanyl]-6-methylpyrimidin-4-olate Traditional Name: 5-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-2-(m-anisylthio)-6-methyl-pyrimidin-4-olate Formula: C23H22N3O5S- MolecularWeight: 452.50288

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=N1)SCC2=CC(=CC=C2)OC)[O-])CC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C23H23N3O5S/c1-14-19(12-20(27)25-17-9-7-16(8-10-17)22(29)31-3)21(28)26-23(24-14)32-13-15-5-4-6-18(11-15)30-2/h4-11H,12-13H2,1-3H3,(H,25,27)(H,24,26,28)/p-1