4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid

Systemtic Name: 4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Openeye Name: 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid CAS Name: 4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid IUPAC Name: 4-(3-methoxyphenyl)-6-methyl-2-sulfanylidene-1,4-dihydropyrimidine-3,5-dicarboxylic acid Traditional Name: 4-(3-methoxyphenyl)-6-methyl-2-thioxo-1,4-dihydropyrimidine-3,5-dicarboxylic acid Formula: C14H14N2O5S MolecularWeight: 322.33636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)OC)C(=O)O

Isomeric SMILES

CC1=C(C(N(C(=S)N1)C(=O)O)C2=CC(=CC=C2)OC)C(=O)O

InChI

InChI=1S/C14H14N2O5S/c1-7-10(12(17)18)11(16(14(19)20)13(22)15-7)8-4-3-5-9(6-8)21-2/h3-6,11H,1-2H3,(H,15,22)(H,17,18)(H,19,20)