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

Systemtic Name: ethyl 4-(2-ethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 4-(2-ethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 4-(2-ethoxyphenyl)-6-methyl-2-(methylthio)-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(2-ethoxyphenyl)-6-methyl-2-methylsulfanyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 6-methyl-2-(methylthio)-4-o-phenetyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H22N2O3S MolecularWeight: 334.43318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N2O3S/c1-5-21-13-10-8-7-9-12(13)15-14(16(20)22-6-2)11(3)18-17(19-15)23-4/h7-10,15H,5-6H2,1-4H3,(H,18,19)