1-[(4-methylsulfanylphenyl)carbonylamino]cycloheptane-1-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)carbonylamino]cycloheptane-1-carboxylic acid Openeye Name: 1-[(4-methylsulfanylbenzoyl)amino]cycloheptanecarboxylic acid CAS Name: 1-[[[4-(methylthio)phenyl]-oxomethyl]amino]-1-cycloheptanecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylbenzoyl)amino]cycloheptane-1-carboxylic acid Traditional Name: 1-[[4-(methylthio)benzoyl]amino]cycloheptanecarboxylic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(=O)NC2(CCCCCC2)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(=O)NC2(CCCCCC2)C(=O)O

InChI

InChI=1S/C16H21NO3S/c1-21-13-8-6-12(7-9-13)14(18)17-16(15(19)20)10-4-2-3-5-11-16/h6-9H,2-5,10-11H2,1H3,(H,17,18)(H,19,20)