4-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalen-2-yl]carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[[2-(tert-butylsulfanylmethyl)tetralin-2-carbonyl]amino]cyclohexanecarboxylic acid CAS Name: 4-[[[2-[(tert-butylthio)methyl]-3,4-dihydro-1H-naphthalen-2-yl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[[2-(tert-butylsulfanylmethyl)-3,4-dihydro-1H-naphthalene-2-carbonyl]amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[2-[(tert-butylthio)methyl]tetralin-2-carbonyl]amino]cyclohexanecarboxylic acid Formula: C23H33NO3S MolecularWeight: 403.57802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NC3CCC(CC3)C(=O)O

Isomeric SMILES

CC(C)(C)SCC1(CCC2=CC=CC=C2C1)C(=O)NC3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H33NO3S/c1-22(2,3)28-15-23(13-12-16-6-4-5-7-18(16)14-23)21(27)24-19-10-8-17(9-11-19)20(25)26/h4-7,17,19H,8-15H2,1-3H3,(H,24,27)(H,25,26)