2-methylpropyl (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: isobutyl (4S)-6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (4S)-6-methyl-4-(4-methylphenyl)-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-(p-tolyl)-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid isobutyl ester Formula: C17H22N2O2S MolecularWeight: 318.43378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC(C)C

InChI

InChI=1S/C17H22N2O2S/c1-10(2)9-21-16(20)14-12(4)18-17(22)19-15(14)13-7-5-11(3)6-8-13/h5-8,10,15H,9H2,1-4H3,(H2,18,19,22)/t15-/m0/s1