(phenylmethyl) 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: (phenylmethyl) 6-(3-ethoxy-4-oxidanyl-phenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: benzyl 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-(3-ethoxy-4-hydroxyphenyl)-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-(3-ethoxy-4-hydroxy-phenyl)-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid benzyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-4-27-18-12-16(10-11-17(18)25)20-19(14(2)24(3)22(29)23-20)21(26)28-13-15-8-6-5-7-9-15/h5-12,20,25H,4,13H2,1-3H3,(H,23,29)