1-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(5-fluoranyl-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]cycloheptanecarboxylic acid CAS Name: 1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[(5-fluoro-1,3-benzothiazol-2-yl)methyl]cycloheptanecarboxylic acid Formula: C16H18FNO2S MolecularWeight: 307.383023

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC2=NC3=C(S2)C=CC(=C3)F)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC2=NC3=C(S2)C=CC(=C3)F)C(=O)O

InChI

InChI=1S/C16H18FNO2S/c17-11-5-6-13-12(9-11)18-14(21-13)10-16(15(19)20)7-3-1-2-4-8-16/h5-6,9H,1-4,7-8,10H2,(H,19,20)