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

Systemtic Name: (phenylmethyl) (4S)-4-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4S)-4-(4-ethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(4-ethylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-ethylphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O2S MolecularWeight: 366.47658

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O2S/c1-3-15-9-11-17(12-10-15)19-18(14(2)22-21(26)23-19)20(24)25-13-16-7-5-4-6-8-16/h4-12,19H,3,13H2,1-2H3,(H2,22,23,26)/t19-/m0/s1