[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 2-(5-bromanylpyridin-2-yl)sulfanylbenzoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(5-bromo-2-pyridyl)sulfanyl]benzoate CAS Name: 2-[(5-bromo-2-pyridinyl)thio]benzoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 2-(5-bromopyridin-2-yl)sulfanylbenzoate Traditional Name: 2-[(5-bromo-2-pyridyl)thio]benzoic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H16BrN3O3S MolecularWeight: 482.34974

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)SC3=NC=C(C=C3)Br

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)CC#N)SC3=NC=C(C=C3)Br

InChI

InChI=1S/C22H16BrN3O3S/c23-16-7-10-21(25-13-16)30-19-4-2-1-3-18(19)22(28)29-14-20(27)26-17-8-5-15(6-9-17)11-12-24/h1-10,13H,11,14H2,(H,26,27)