4-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 4-[1-(2-methylbutan-2-ylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 4-[2-(1,1-dimethylpropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 4-[[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 4-[1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 4-[[2-(tert-amylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C)(C)NC(=O)C(C)SC1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C15H21NO3S/c1-5-15(3,4)16-13(17)10(2)20-12-8-6-11(7-9-12)14(18)19/h6-10H,5H2,1-4H3,(H,16,17)(H,18,19)