ethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-4-phenylmethoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzyloxy-3-methoxy-phenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxy-4-phenylmethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 4-(4-benzoxy-3-methoxy-phenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)SC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC(=C(C=C2)OCC3=CC=CC=C3)OC)SC)C

InChI

InChI=1S/C23H26N2O4S/c1-5-28-22(26)20-15(2)24-23(30-4)25-21(20)17-11-12-18(19(13-17)27-3)29-14-16-9-7-6-8-10-16/h6-13,21H,5,14H2,1-4H3,(H,24,25)