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

Systemtic Name: (3,4-dimethoxyphenyl)methyl 6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: (3,4-dimethoxyphenyl)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 (3,4-dimethoxyphenyl)methyl ester IUPAC Name: (3,4-dimethoxyphenyl)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 veratryl ester Formula: C15H18N2O4S MolecularWeight: 322.37942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OC)OC

Isomeric SMILES

CC1=C(CNC(=S)N1)C(=O)OCC2=CC(=C(C=C2)OC)OC

InChI

InChI=1S/C15H18N2O4S/c1-9-11(7-16-15(22)17-9)14(18)21-8-10-4-5-12(19-2)13(6-10)20-3/h4-6H,7-8H2,1-3H3,(H2,16,17,22)