ethyl 2-methylsulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-(methylthio)-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-6-phenyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O5S MolecularWeight: 442.52794

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H26N2O5S/c1-6-30-22(26)18-19(14-10-8-7-9-11-14)24-23(31-5)25-20(18)15-12-16(27-2)21(29-4)17(13-15)28-3/h7-13,20H,6H2,1-5H3,(H,24,25)