2-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid

Systemtic Name: 2-[2-(5-methyl-2-propan-2-yl-cyclohexyl)oxy-2-oxidanylidene-ethyl]sulfanylpyridine-3-carboxylic acid Openeye Name: 2-[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-oxo-ethyl]sulfanylpyridine-3-carboxylic acid CAS Name: 2-[[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]thio]-3-pyridinecarboxylic acid IUPAC Name: 2-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxy-2-oxoethyl]sulfanylpyridine-3-carboxylic acid Traditional Name: 2-[[2-(2-isopropyl-5-methyl-cyclohexoxy)-2-keto-ethyl]thio]nicotinic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=C(C=CC=N2)C(=O)O)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=C(C=CC=N2)C(=O)O)C(C)C

InChI

InChI=1S/C18H25NO4S/c1-11(2)13-7-6-12(3)9-15(13)23-16(20)10-24-17-14(18(21)22)5-4-8-19-17/h4-5,8,11-13,15H,6-7,9-10H2,1-3H3,(H,21,22)