ethyl 4-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-methoxy-4-phenethyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-methoxy-4-phenethyloxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(3-methoxy-4-phenethyloxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H26N2O4S MolecularWeight: 426.52854

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)NC1C2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C

InChI

InChI=1S/C23H26N2O4S/c1-4-28-22(26)20-15(2)24-23(30)25-21(20)17-10-11-18(19(14-17)27-3)29-13-12-16-8-6-5-7-9-16/h5-11,14,21H,4,12-13H2,1-3H3,(H2,24,25,30)