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

Systemtic Name: 5-[4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]butylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]butylsulfanyl]thiophene-2-carboxylic acid CAS Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]butylthio]-2-thiophenecarboxylic acid IUPAC Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 5-[4-[4-(6-fluoroindoxazen-3-yl)piperidino]butylthio]-2-thenoic acid Formula: C21H23FN2O3S2 MolecularWeight: 434.547323

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCSC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCCSC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C21H23FN2O3S2/c22-15-3-4-16-17(13-15)27-23-20(16)14-7-10-24(11-8-14)9-1-2-12-28-19-6-5-18(29-19)21(25)26/h3-6,13-14H,1-2,7-12H2,(H,25,26)