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

Systemtic Name: (3,5-diethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3,5-diethoxyphenyl)methyl 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-diethoxyphenyl)methyl ester IUPAC Name: (3,5-diethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid (3,5-diethoxybenzyl) ester Formula: C17H22N2O4S MolecularWeight: 350.43258

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1)COC(=O)C2=C(NC(=S)NC2)C)OCC

Isomeric SMILES

CCOC1=CC(=CC(=C1)COC(=O)C2=C(NC(=S)NC2)C)OCC

InChI

InChI=1S/C17H22N2O4S/c1-4-21-13-6-12(7-14(8-13)22-5-2)10-23-16(20)15-9-18-17(24)19-11(15)3/h6-8H,4-5,9-10H2,1-3H3,(H2,18,19,24)