4-[(2R)-2-[[(2S)-2-oxidanyl-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 4-[(2R)-2-[[(2S)-2-oxidanyl-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]-1-benzofuran-2-carboxylic acid Openeye Name: 4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)thiazol-4-yl]ethyl]amino]propyl]benzofuran-2-carboxylic acid CAS Name: 4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)-4-thiazolyl]ethyl]amino]propyl]-2-benzofurancarboxylic acid IUPAC Name: 4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)-1,3-thiazol-4-yl]ethyl]amino]propyl]-1-benzofuran-2-carboxylic acid Traditional Name: 4-[(2R)-2-[[(2S)-2-hydroxy-2-[2-(trifluoromethyl)thiazol-4-yl]ethyl]amino]propyl]coumarilic acid Formula: C18H17F3N2O4S MolecularWeight: 414.39879

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=C2C=C(OC2=CC=C1)C(=O)O)NCC(C3=CSC(=N3)C(F)(F)F)O

Isomeric SMILES

C[C@H](CC1=C2C=C(OC2=CC=C1)C(=O)O)NC[C@@H](C3=CSC(=N3)C(F)(F)F)O

InChI

InChI=1S/C18H17F3N2O4S/c1-9(22-7-13(24)12-8-28-17(23-12)18(19,20)21)5-10-3-2-4-14-11(10)6-15(27-14)16(25)26/h2-4,6,8-9,13,22,24H,5,7H2,1H3,(H,25,26)/t9-,13+/m1/s1