1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-[(2-methyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[(2-methyl-1,3-benzothiazol-6-yl)amino]ethyl]cycloheptanecarboxylic acid Formula: C18H22N2O3S MolecularWeight: 346.44388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCCCC3)C(=O)O

Isomeric SMILES

CC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCCCC3)C(=O)O

InChI

InChI=1S/C18H22N2O3S/c1-12-19-14-7-6-13(10-15(14)24-12)20-16(21)11-18(17(22)23)8-4-2-3-5-9-18/h6-7,10H,2-5,8-9,11H2,1H3,(H,20,21)(H,22,23)