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

Systemtic Name: 5-[6-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]hexylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 5-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]hexylsulfanyl]thiophene-2-carboxylic acid CAS Name: 5-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]hexylthio]-2-thiophenecarboxylic acid IUPAC Name: 5-[6-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]hexylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 5-[6-[4-(6-fluoroindoxazen-3-yl)piperidino]hexylthio]-2-thenoic acid Formula: C23H27FN2O3S2 MolecularWeight: 462.600483

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCCCSC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCCCSC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C23H27FN2O3S2/c24-17-5-6-18-19(15-17)29-25-22(18)16-9-12-26(13-10-16)11-3-1-2-4-14-30-21-8-7-20(31-21)23(27)28/h5-8,15-16H,1-4,9-14H2,(H,27,28)