1-[(7-chloranyl-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(7-chloranyl-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[(7-chloro-1,3-benzothiazol-2-yl)methyl]cycloheptanecarboxylic acid CAS Name: 1-[(7-chloro-1,3-benzothiazol-2-yl)methyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(7-chloro-1,3-benzothiazol-2-yl)methyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[(7-chloro-1,3-benzothiazol-2-yl)methyl]cycloheptanecarboxylic acid Formula: C16H18ClNO2S MolecularWeight: 323.83762

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18ClNO2S/c17-11-6-5-7-12-14(11)21-13(18-12)10-16(15(19)20)8-3-1-2-4-9-16/h5-7H,1-4,8-10H2,(H,19,20)