3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid

Systemtic Name: 3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Openeye Name: 3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid CAS Name: 3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid IUPAC Name: 3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-sulfanylidene-1,4-dihydropyrimidine-5-carboxylic acid Traditional Name: 3-ethyl-4-(4-methoxyphenyl)-6-phenyl-2-thioxo-1,4-dihydropyrimidine-5-carboxylic acid Formula: C20H20N2O3S MolecularWeight: 368.4494

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)OC

Isomeric SMILES

CCN1C(C(=C(NC1=S)C2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H20N2O3S/c1-3-22-18(14-9-11-15(25-2)12-10-14)16(19(23)24)17(21-20(22)26)13-7-5-4-6-8-13/h4-12,18H,3H2,1-2H3,(H,21,26)(H,23,24)