methyl (4R)-4-(3-methoxy-2-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl (4R)-4-(3-methoxy-2-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: methyl (4R)-4-(2-benzyloxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl (4R)-4-(3-methoxy-2-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2-benzoxy-3-methoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C([C@H](NC(=S)N1)C2=C(C(=CC=C2)OC)OCC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C21H22N2O4S/c1-13-17(20(24)26-3)18(23-21(28)22-13)15-10-7-11-16(25-2)19(15)27-12-14-8-5-4-6-9-14/h4-11,18H,12H2,1-3H3,(H2,22,23,28)/t18-/m1/s1