ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-isopropylsulfanyl-6-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate CAS Name: 6-methyl-2-(propan-2-ylthio)-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-methyl-2-propan-2-ylsulfanyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(isopropylthio)-6-methyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O5S MolecularWeight: 408.51172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O5S/c1-8-27-19(23)16-12(4)21-20(28-11(2)3)22-17(16)13-9-14(24-5)18(26-7)15(10-13)25-6/h9-11,17H,8H2,1-7H3,(H,21,22)