2-(4-ethoxyphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: 2-(4-ethoxyphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: 2-(4-ethoxyphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-(4-ethoxyphenyl)ethyl ester IUPAC Name: 2-(4-ethoxyphenyl)ethyl 4-(hydroxymethyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-4-methylol-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid 2-p-phenetylethyl ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CCOC(=O)C2=C(NC(=S)NC2CO)C

InChI

InChI=1S/C17H22N2O4S/c1-3-22-13-6-4-12(5-7-13)8-9-23-16(21)15-11(2)18-17(24)19-14(15)10-20/h4-7,14,20H,3,8-10H2,1-2H3,(H2,18,19,24)