2-tert-butylsulfanyl-1-[methyl(naphthalen-2-ylcarbonyl)amino]cyclohexane-1-carboxylic acid

Systemtic Name: 2-tert-butylsulfanyl-1-[methyl(naphthalen-2-ylcarbonyl)amino]cyclohexane-1-carboxylic acid Openeye Name: 2-tert-butylsulfanyl-1-[methyl(naphthalene-2-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 2-(tert-butylthio)-1-[methyl-[2-naphthalenyl(oxo)methyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 2-tert-butylsulfanyl-1-[methyl(naphthalene-2-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 2-(tert-butylthio)-1-[methyl(2-naphthoyl)amino]cyclohexanecarboxylic acid Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC1CCCCC1(C(=O)O)N(C)C(=O)C2=CC3=CC=CC=C3C=C2

Isomeric SMILES

CC(C)(C)SC1CCCCC1(C(=O)O)N(C)C(=O)C2=CC3=CC=CC=C3C=C2

InChI

InChI=1S/C23H29NO3S/c1-22(2,3)28-19-11-7-8-14-23(19,21(26)27)24(4)20(25)18-13-12-16-9-5-6-10-17(16)15-18/h5-6,9-10,12-13,15,19H,7-8,11,14H2,1-4H3,(H,26,27)