[2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate

Systemtic Name: [2-(2-methylpropylamino)-2-oxidanylidene-ethyl] 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate Openeye Name: [2-(isobutylamino)-2-oxo-ethyl] 2-[(5-bromo-2-pyridyl)sulfanyl]benzoate CAS Name: 2-[(5-bromo-2-pyridinyl)thio]benzoic acid [2-(2-methylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylamino)-2-oxoethyl] 2-(5-bromopyridin-2-yl)sulfanylbenzoate Traditional Name: 2-[(5-bromo-2-pyridyl)thio]benzoic acid [2-(isobutylamino)-2-keto-ethyl] ester Formula: C18H19BrN2O3S MolecularWeight: 423.32406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)COC(=O)C1=CC=CC=C1SC2=NC=C(C=C2)Br

Isomeric SMILES

CC(C)CNC(=O)COC(=O)C1=CC=CC=C1SC2=NC=C(C=C2)Br

InChI

InChI=1S/C18H19BrN2O3S/c1-12(2)9-20-16(22)11-24-18(23)14-5-3-4-6-15(14)25-17-8-7-13(19)10-21-17/h3-8,10,12H,9,11H2,1-2H3,(H,20,22)