3-(4-methoxyphenyl)-5-oxidanylidene-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid

Systemtic Name: 3-(4-methoxyphenyl)-5-oxidanylidene-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid Openeye Name: 3-(4-methoxyphenyl)-5-oxo-5-[(4-phenylthiazol-2-yl)amino]pentanoic acid CAS Name: 3-(4-methoxyphenyl)-5-oxo-5-[(4-phenyl-2-thiazolyl)amino]pentanoic acid IUPAC Name: 3-(4-methoxyphenyl)-5-oxo-5-[(4-phenyl-1,3-thiazol-2-yl)amino]pentanoic acid Traditional Name: 5-keto-3-(4-methoxyphenyl)-5-[(4-phenylthiazol-2-yl)amino]valeric acid Formula: C21H20N2O4S MolecularWeight: 396.4595

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CC(=O)O

Isomeric SMILES

COC1=CC=C(C=C1)C(CC(=O)NC2=NC(=CS2)C3=CC=CC=C3)CC(=O)O

InChI

InChI=1S/C21H20N2O4S/c1-27-17-9-7-14(8-10-17)16(12-20(25)26)11-19(24)23-21-22-18(13-28-21)15-5-3-2-4-6-15/h2-10,13,16H,11-12H2,1H3,(H,25,26)(H,22,23,24)