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

Systemtic Name: (phenylmethyl) (4S)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(4-ethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-methyl-4-p-phenetyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)[C@H]2C(=C(NC(=S)N2)C)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H22N2O3S/c1-3-25-17-11-9-16(10-12-17)19-18(14(2)22-21(27)23-19)20(24)26-13-15-7-5-4-6-8-15/h4-12,19H,3,13H2,1-2H3,(H2,22,23,27)/t19-/m0/s1