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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2C(=C(NC(=S)N2)C)C(=O)OC)OCC

InChI

InChI=1S/C17H22N2O4S/c1-5-22-12-8-7-11(9-13(12)23-6-2)15-14(16(20)21-4)10(3)18-17(24)19-15/h7-9,15H,5-6H2,1-4H3,(H2,18,19,24)