1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxidanylidene-ethyl]cycloheptane-1-carboxylic acid Openeye Name: 1-[2-(3-methylsulfanylanilino)-2-oxo-ethyl]cycloheptanecarboxylic acid CAS Name: 1-[2-[3-(methylthio)anilino]-2-oxoethyl]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[2-(3-methylsulfanylanilino)-2-oxoethyl]cycloheptane-1-carboxylic acid Traditional Name: 1-[2-keto-2-[3-(methylthio)anilino]ethyl]cycloheptanecarboxylic acid Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)CC2(CCCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)CC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C17H23NO3S/c1-22-14-8-6-7-13(11-14)18-15(19)12-17(16(20)21)9-4-2-3-5-10-17/h6-8,11H,2-5,9-10,12H2,1H3,(H,18,19)(H,20,21)