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

Systemtic Name: (phenylmethyl) (4S)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: benzyl (4S)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (4S)-4-(4-ethoxy-3-methoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-4-(4-ethoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid benzyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-27-17-11-10-16(12-18(17)26-3)20-19(14(2)23-22(29)24-20)21(25)28-13-15-8-6-5-7-9-15/h5-12,20H,4,13H2,1-3H3,(H2,23,24,29)/t20-/m0/s1