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

Systemtic Name: 5-[4-[4-(6-fluoranyl-1,2-benzoxazol-3-yl)piperidin-1-yl]butylsulfanyl]thiophene-2-carbaldehyde Openeye Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidyl]butylsulfanyl]thiophene-2-carbaldehyde CAS Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)-1-piperidinyl]butylthio]-2-thiophenecarboxaldehyde IUPAC Name: 5-[4-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]butylsulfanyl]thiophene-2-carbaldehyde Traditional Name: 5-[4-[4-(6-fluoroindoxazen-3-yl)piperidino]butylthio]thiophene-2-carbaldehyde Formula: C21H23FN2O2S2 MolecularWeight: 418.547923

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23FN2O2S2/c22-16-3-5-18-19(13-16)26-23-21(18)15-7-10-24(11-8-15)9-1-2-12-27-20-6-4-17(14-25)28-20/h3-6,13-15H,1-2,7-12H2