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

Systemtic Name: ethyl (6S)-3-(4-methoxyphenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-(4-methoxyphenyl)-4-methyl-6-(o-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-3-(4-methoxyphenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-(4-methoxyphenyl)-4-methyl-6-(2-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-(4-methoxyphenyl)-4-methyl-6-(o-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2C)C3=CC=C(C=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=S)N[C@H]1C2=CC=CC=C2C)C3=CC=C(C=C3)OC)C

InChI

InChI=1S/C22H24N2O3S/c1-5-27-21(25)19-15(3)24(16-10-12-17(26-4)13-11-16)22(28)23-20(19)18-9-7-6-8-14(18)2/h6-13,20H,5H2,1-4H3,(H,23,28)/t20-/m0/s1