ethyl 4-(2-ethoxyphenyl)-6-methyl-2-(2-methylpropylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(2-ethoxyphenyl)-6-methyl-2-(2-methylpropylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxyphenyl)-2-isobutylsulfanyl-6-methyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-methyl-2-(2-methylpropylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxyphenyl)-6-methyl-2-(2-methylpropylsulfanyl)-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-(isobutylthio)-6-methyl-4-o-phenetyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C20H28N2O3S MolecularWeight: 376.51292

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCC(C)C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC=C1C2C(=C(NC(=N2)SCC(C)C)C)C(=O)OCC

InChI

InChI=1S/C20H28N2O3S/c1-6-24-16-11-9-8-10-15(16)18-17(19(23)25-7-2)14(5)21-20(22-18)26-12-13(3)4/h8-11,13,18H,6-7,12H2,1-5H3,(H,21,22)