3-[(5-ethoxycarbonyl-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid

Systemtic Name: 3-[(5-ethoxycarbonyl-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Openeye Name: 3-[(5-ethoxycarbonyl-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid CAS Name: 3-[(5-ethoxycarbonyl-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)thio]propanoic acid IUPAC Name: 3-[(5-ethoxycarbonyl-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)sulfanyl]propanoic acid Traditional Name: 3-[(5-carbethoxy-4,6-diphenyl-1,4-dihydropyrimidin-2-yl)thio]propionic acid Formula: C22H22N2O4S MolecularWeight: 410.48608

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCCC(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCCC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C22H22N2O4S/c1-2-28-21(27)18-19(15-9-5-3-6-10-15)23-22(29-14-13-17(25)26)24-20(18)16-11-7-4-8-12-16/h3-12,19H,2,13-14H2,1H3,(H,23,24)(H,25,26)