1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid

Systemtic Name: 1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid Openeye Name: 1-(1,3-benzothiazol-2-ylmethyl)cycloheptanecarboxylic acid CAS Name: 1-(1,3-benzothiazol-2-ylmethyl)-1-cycloheptanecarboxylic acid IUPAC Name: 1-(1,3-benzothiazol-2-ylmethyl)cycloheptane-1-carboxylic acid Traditional Name: 1-(1,3-benzothiazol-2-ylmethyl)cycloheptanecarboxylic acid Formula: C16H19NO2S MolecularWeight: 289.39256

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)O

Isomeric SMILES

C1CCCC(CC1)(CC2=NC3=CC=CC=C3S2)C(=O)O

InChI

InChI=1S/C16H19NO2S/c18-15(19)16(9-5-1-2-6-10-16)11-14-17-12-7-3-4-8-13(12)20-14/h3-4,7-8H,1-2,5-6,9-11H2,(H,18,19)