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

Systemtic Name: phenethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: phenethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester IUPAC Name: phenethyl 4-(3,5-dimethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3,5-dimethoxyphenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid phenethyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1)C2=CC(=CC(=C2)OC)OC)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(NC(=S)N1)C2=CC(=CC(=C2)OC)OC)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C22H24N2O4S/c1-14-19(21(25)28-10-9-15-7-5-4-6-8-15)20(24-22(29)23-14)16-11-17(26-2)13-18(12-16)27-3/h4-8,11-13,20H,9-10H2,1-3H3,(H2,23,24,29)