4-[(6-methyl-2-phenethylsulfanyl-pyridin-3-yl)carbonylamino]cyclohexane-1-carboxylic acid

Systemtic Name: 4-[(6-methyl-2-phenethylsulfanyl-pyridin-3-yl)carbonylamino]cyclohexane-1-carboxylic acid Openeye Name: 4-[(6-methyl-2-phenethylsulfanyl-pyridine-3-carbonyl)amino]cyclohexanecarboxylic acid CAS Name: 4-[[[6-methyl-2-(phenethylthio)-3-pyridinyl]-oxomethyl]amino]-1-cyclohexanecarboxylic acid IUPAC Name: 4-[(6-methyl-2-phenethylsulfanylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid Traditional Name: 4-[[6-methyl-2-(phenethylthio)nicotinoyl]amino]cyclohexanecarboxylic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C(C=C1)C(=O)NC2CCC(CC2)C(=O)O)SCCC3=CC=CC=C3

Isomeric SMILES

CC1=NC(=C(C=C1)C(=O)NC2CCC(CC2)C(=O)O)SCCC3=CC=CC=C3

InChI

InChI=1S/C22H26N2O3S/c1-15-7-12-19(20(25)24-18-10-8-17(9-11-18)22(26)27)21(23-15)28-14-13-16-5-3-2-4-6-16/h2-7,12,17-18H,8-11,13-14H2,1H3,(H,24,25)(H,26,27)