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

Systemtic Name: methyl (6S)-4-methyl-3,6-bis(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl (6S)-4-methyl-3,6-bis(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-methyl-3,6-bis(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (6S)-4-methyl-3,6-bis(3-methylphenyl)-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-4-methyl-3,6-bis(m-tolyl)-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C(NC2=S)C3=CC(=CC=C3)C)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C([C@@H](NC2=S)C3=CC(=CC=C3)C)C(=O)OC)C

InChI

InChI=1S/C21H22N2O2S/c1-13-7-5-9-16(11-13)19-18(20(24)25-4)15(3)23(21(26)22-19)17-10-6-8-14(2)12-17/h5-12,19H,1-4H3,(H,22,26)/t19-/m0/s1