1-[(2-methylsulfanylphenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(2-methylsulfanylphenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(2-methylsulfanylbenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[[2-(methylthio)phenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(2-methylsulfanylbenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[2-(methylthio)benzoyl]amino]cycloheptanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1C(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=CC=C1C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-13-9-5-4-8-12(13)14(18)17-16(15(19)20)10-6-2-3-7-11-16/h4-5,8-9H,2-3,6-7,10-11H2,1H3,(H,17,18)(H,19,20)