2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid

Systemtic Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Openeye Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid CAS Name: 2-[[(5,6-dimethyl-1,3-benzothiazol-2-yl)amino]-oxomethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexane-1-carboxylic acid Traditional Name: 2-[(5,6-dimethyl-1,3-benzothiazol-2-yl)carbamoyl]cyclohexanecarboxylic acid Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1C)SC(=N2)NC(=O)C3CCCCC3C(=O)O

InChI

InChI=1S/C17H20N2O3S/c1-9-7-13-14(8-10(9)2)23-17(18-13)19-15(20)11-5-3-4-6-12(11)16(21)22/h7-8,11-12H,3-6H2,1-2H3,(H,21,22)(H,18,19,20)