methyl 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate

Systemtic Name: methyl 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxidanylidene-ethanoate Openeye Name: methyl 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxo-acetate CAS Name: 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetic acid methyl ester IUPAC Name: methyl 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidin-5-yl]-2-oxoacetate Traditional Name: 2-[6-(4-chlorophenyl)-4-(4-methoxyphenyl)-2-thioxo-3,4-dihydro-1H-pyrimidin-5-yl]-2-keto-acetic acid methyl ester Formula: C20H17ClN2O4S MolecularWeight: 416.87798

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)Cl)C(=O)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C3=CC=C(C=C3)Cl)C(=O)C(=O)OC

InChI

InChI=1S/C20H17ClN2O4S/c1-26-14-9-5-12(6-10-14)17-15(18(24)19(25)27-2)16(22-20(28)23-17)11-3-7-13(21)8-4-11/h3-10,17H,1-2H3,(H2,22,23,28)