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

Systemtic Name: 1-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxidanylidene-ethyl]cyclohexane-1-carboxylic acid Openeye Name: 1-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxo-ethyl]cyclohexanecarboxylic acid CAS Name: 1-[2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]-2-oxoethyl]-1-cyclohexanecarboxylic acid IUPAC Name: 1-[2-[(2-methylsulfanyl-1,3-benzothiazol-6-yl)amino]-2-oxoethyl]cyclohexane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[[2-(methylthio)-1,3-benzothiazol-6-yl]amino]ethyl]cyclohexanecarboxylic acid Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

Isomeric SMILES

CSC1=NC2=C(S1)C=C(C=C2)NC(=O)CC3(CCCCC3)C(=O)O

InChI

InChI=1S/C17H20N2O3S2/c1-23-16-19-12-6-5-11(9-13(12)24-16)18-14(20)10-17(15(21)22)7-3-2-4-8-17/h5-6,9H,2-4,7-8,10H2,1H3,(H,18,20)(H,21,22)