2-[2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropyl]benzoic acid

Systemtic Name: 2-[2-[1-(dimethylamino)-1-oxidanylidene-propan-2-yl]sulfanylpropyl]benzoic acid Openeye Name: 2-[2-[2-(dimethylamino)-1-methyl-2-oxo-ethyl]sulfanylpropyl]benzoic acid CAS Name: 2-[2-[[1-(dimethylamino)-1-oxopropan-2-yl]thio]propyl]benzoic acid IUPAC Name: 2-[2-[1-(dimethylamino)-1-oxopropan-2-yl]sulfanylpropyl]benzoic acid Traditional Name: 2-[2-[[2-(dimethylamino)-2-keto-1-methyl-ethyl]thio]propyl]benzoic acid Formula: C15H21NO3S MolecularWeight: 295.39714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=CC=C1C(=O)O)SC(C)C(=O)N(C)C

Isomeric SMILES

CC(CC1=CC=CC=C1C(=O)O)SC(C)C(=O)N(C)C

InChI

InChI=1S/C15H21NO3S/c1-10(20-11(2)14(17)16(3)4)9-12-7-5-6-8-13(12)15(18)19/h5-8,10-11H,9H2,1-4H3,(H,18,19)