2-[4-[1-(cyclohexylamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanylphenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-(cyclohexylamino)-2-methyl-1-oxidanylidene-propan-2-yl]sulfanylphenoxy]ethanoic acid Openeye Name: 2-[4-[2-(cyclohexylamino)-1,1-dimethyl-2-oxo-ethyl]sulfanylphenoxy]acetic acid CAS Name: 2-[4-[[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]thio]phenoxy]acetic acid IUPAC Name: 2-[4-[1-(cyclohexylamino)-2-methyl-1-oxopropan-2-yl]sulfanylphenoxy]acetic acid Traditional Name: 2-[4-[[2-(cyclohexylamino)-2-keto-1,1-dimethyl-ethyl]thio]phenoxy]acetic acid Formula: C18H25NO4S MolecularWeight: 351.4604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)NC1CCCCC1)SC2=CC=C(C=C2)OCC(=O)O

Isomeric SMILES

CC(C)(C(=O)NC1CCCCC1)SC2=CC=C(C=C2)OCC(=O)O

InChI

InChI=1S/C18H25NO4S/c1-18(2,17(22)19-13-6-4-3-5-7-13)24-15-10-8-14(9-11-15)23-12-16(20)21/h8-11,13H,3-7,12H2,1-2H3,(H,19,22)(H,20,21)