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

Systemtic Name: 5-[3-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]thiophene-2-carboxylic acid Openeye Name: 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]propylsulfanyl]thiophene-2-carboxylic acid CAS Name: 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]propylthio]-2-thiophenecarboxylic acid IUPAC Name: 5-[3-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propylsulfanyl]thiophene-2-carboxylic acid Traditional Name: 5-[3-[4-(6-fluoroindoxazen-3-yl)piperidino]propylthio]-2-thenoic acid Formula: C20H21FN2O3S2 MolecularWeight: 420.520743

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCSC4=CC=C(S4)C(=O)O

Isomeric SMILES

C1CN(CCC1C2=NOC3=C2C=CC(=C3)F)CCCSC4=CC=C(S4)C(=O)O

InChI

InChI=1S/C20H21FN2O3S2/c21-14-2-3-15-16(12-14)26-22-19(15)13-6-9-23(10-7-13)8-1-11-27-18-5-4-17(28-18)20(24)25/h2-5,12-13H,1,6-11H2,(H,24,25)