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

Systemtic Name: ethyl 4-(3-ethoxy-4-phenylmethoxy-phenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-benzyloxy-3-ethoxy-phenyl)-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-ethoxy-4-phenylmethoxyphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-benzoxy-3-ethoxy-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:

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2C(=C(NC(=S)N2)C)C(=O)OCC)OCC3=CC=CC=C3

InChI

InChI=1S/C23H26N2O4S/c1-4-27-19-13-17(11-12-18(19)29-14-16-9-7-6-8-10-16)21-20(22(26)28-5-2)15(3)24-23(30)25-21/h6-13,21H,4-5,14H2,1-3H3,(H2,24,25,30)