methyl (6S)-6-(3-chloranyl-4,5-dimethoxy-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(3-chloranyl-4,5-dimethoxy-phenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(3-chloro-4,5-dimethoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(3-chloro-4,5-dimethoxyphenyl)-4-methyl-3-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(3-chloro-4,5-dimethoxy-phenyl)-4-methyl-3-phenyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H21ClN2O4S MolecularWeight: 432.92044

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21ClN2O4S/c1-12-17(20(25)28-4)18(13-10-15(22)19(27-3)16(11-13)26-2)23-21(29)24(12)14-8-6-5-7-9-14/h5-11,18H,1-4H3,(H,23,29)/t18-/m0/s1