5-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylsulfanyl]thiophene-2-carboxylic acid

Systemtic Name: 5-[2-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]ethylsulfanyl]thiophene-2-carboxylic acid CAS Name: 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]ethylthio]-2-thiophenecarboxylic acid IUPAC Name: 5-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 5-[2-[4-(6-fluoroindoxazen-3-yl)piperidino]ethylthio]-2-thenoic acid Formula: C19H19FN2O3S2 MolecularWeight: 406.494163

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCSC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCSC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C19H19FN2O3S2/c20-13-1-2-14-15(11-13)25-21-18(14)12-5-7-22(8-6-12)9-10-26-17-4-3-16(27-17)19(23)24/h1-4,11-12H,5-10H2,(H,23,24)