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

Systemtic Name: methyl (6S)-3-(4-chlorophenyl)-6-(4-methoxy-3-oxidanyl-phenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-3-(4-chlorophenyl)-6-(3-hydroxy-4-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(4-chlorophenyl)-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-3-(4-chlorophenyl)-6-(3-hydroxy-4-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(4-chlorophenyl)-6-(3-hydroxy-4-methoxy-phenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C20H19ClN2O4S MolecularWeight: 418.89386

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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)OC)O)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=C(C=C2)Cl)C3=CC(=C(C=C3)OC)O)C(=O)OC

InChI

InChI=1S/C20H19ClN2O4S/c1-11-17(19(25)27-3)18(12-4-9-16(26-2)15(24)10-12)22-20(28)23(11)14-7-5-13(21)6-8-14/h4-10,18,24H,1-3H3,(H,22,28)/t18-/m0/s1