2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid

Systemtic Name: 2-[2-(2-methylpropylamino)-2-oxidanylidene-ethyl]sulfanylbenzoic acid Openeye Name: 2-[2-(isobutylamino)-2-oxo-ethyl]sulfanylbenzoic acid CAS Name: 2-[[2-(2-methylpropylamino)-2-oxoethyl]thio]benzoic acid IUPAC Name: 2-[2-(2-methylpropylamino)-2-oxoethyl]sulfanylbenzoic acid Traditional Name: 2-[[2-(isobutylamino)-2-keto-ethyl]thio]benzoic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)CSC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)CNC(=O)CSC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C13H17NO3S/c1-9(2)7-14-12(15)8-18-11-6-4-3-5-10(11)13(16)17/h3-6,9H,7-8H2,1-2H3,(H,14,15)(H,16,17)