methyl (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-6-(4-cyanophenyl)-3-(2-methoxyphenyl)-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C2=CC=CC=C2OC)C3=CC=C(C=C3)C#N)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](NC(=S)N1C2=CC=CC=C2OC)C3=CC=C(C=C3)C#N)C(=O)OC

InChI

InChI=1S/C21H19N3O3S/c1-13-18(20(25)27-3)19(15-10-8-14(12-22)9-11-15)23-21(28)24(13)16-6-4-5-7-17(16)26-2/h4-11,19H,1-3H3,(H,23,28)/t19-/m0/s1