methyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 6-(3-chloranyl-5-methoxy-4-oxidanyl-phenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 6-(3-chloro-4-hydroxy-5-methoxyphenyl)-3-(4-chlorophenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-chloro-4-hydroxy-5-methoxy-phenyl)-3-(4-chlorophenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H18Cl2N2O4S MolecularWeight: 453.33892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OC

Isomeric SMILES

CC1=C(C(NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC(=C(C(=C3)Cl)O)OC)C(=O)OC

InChI

InChI=1S/C20H18Cl2N2O4S/c1-10-16(19(26)28-3)17(11-8-14(22)18(25)15(9-11)27-2)23-20(29)24(10)13-6-4-12(21)5-7-13/h4-9,17,25H,1-3H3,(H,23,29)