[2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate

Systemtic Name: [2-[(5-bromanylpyridin-2-yl)amino]-2-oxidanylidene-ethyl] 2-benzamido-4-methylsulfanyl-butanoate Openeye Name: [2-[(5-bromo-2-pyridyl)amino]-2-oxo-ethyl] 2-benzamido-4-methylsulfanyl-butanoate CAS Name: 2-benzamido-4-(methylthio)butanoic acid [2-[(5-bromo-2-pyridinyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromopyridin-2-yl)amino]-2-oxoethyl] 2-benzamido-4-methylsulfanylbutanoate Traditional Name: 2-benzamido-4-(methylthio)butyric acid [2-[(5-bromo-2-pyridyl)amino]-2-keto-ethyl] ester Formula: C19H20BrN3O4S MolecularWeight: 466.3488

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(C(=O)OCC(=O)NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CSCCC(C(=O)OCC(=O)NC1=NC=C(C=C1)Br)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C19H20BrN3O4S/c1-28-10-9-15(22-18(25)13-5-3-2-4-6-13)19(26)27-12-17(24)23-16-8-7-14(20)11-21-16/h2-8,11,15H,9-10,12H2,1H3,(H,22,25)(H,21,23,24)