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

Systemtic Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-[(4-methoxycarbonylphenyl)amino]-2-oxidanylidene-ethyl]pyrimidin-4-olate Openeye Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-methoxycarbonylanilino)-2-oxo-ethyl]pyrimidin-4-olate CAS Name: 2-[(3-chlorophenyl)methylthio]-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]-4-pyrimidinolate IUPAC Name: 2-[(3-chlorophenyl)methylsulfanyl]-6-[2-(4-methoxycarbonylanilino)-2-oxoethyl]pyrimidin-4-olate Traditional Name: 6-[2-(4-carbomethoxyanilino)-2-keto-ethyl]-2-[(3-chlorobenzyl)thio]pyrimidin-4-olate Formula: C21H17ClN3O4S- MolecularWeight: 442.89538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3O4S/c1-29-20(28)14-5-7-16(8-6-14)23-18(26)10-17-11-19(27)25-21(24-17)30-12-13-3-2-4-15(22)9-13/h2-9,11H,10,12H2,1H3,(H,23,26)(H,24,25,27)/p-1