methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[(5-bromanylpyridin-3-yl)carbonylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-3-(2-thienyl)propanoate CAS Name: 3-[[(5-bromo-3-pyridinyl)-oxomethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[(5-bromopyridine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[(5-bromonicotinoyl)amino]-3-(2-thienyl)propionic acid methyl ester Formula: C14H13BrN2O3S MolecularWeight: 369.23362

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CN=C2)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)C2=CC(=CN=C2)Br

InChI

InChI=1S/C14H13BrN2O3S/c1-20-13(18)6-11(12-3-2-4-21-12)17-14(19)9-5-10(15)8-16-7-9/h2-5,7-8,11H,6H2,1H3,(H,17,19)