2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid

Systemtic Name: 2-[1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl]sulfanylbenzoic acid Openeye Name: 2-[2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[1-(cyclopropylamino)-1-oxopropan-2-yl]thio]benzoic acid IUPAC Name: 2-[1-(cyclopropylamino)-1-oxopropan-2-yl]sulfanylbenzoic acid Traditional Name: 2-[[2-(cyclopropylamino)-2-keto-1-methyl-ethyl]thio]benzoic acid Formula: C13H15NO3S MolecularWeight: 265.3281

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)SC2=CC=CC=C2C(=O)O

Isomeric SMILES

CC(C(=O)NC1CC1)SC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C13H15NO3S/c1-8(12(15)14-9-6-7-9)18-11-5-3-2-4-10(11)13(16)17/h2-5,8-9H,6-7H2,1H3,(H,14,15)(H,16,17)