[2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate

Systemtic Name: [2-(5-bromanylthiophen-2-yl)-2-oxidanylidene-ethyl] 2-(furan-2-ylcarbonylamino)-3-methyl-butanoate Openeye Name: [2-(5-bromo-2-thienyl)-2-oxo-ethyl] 2-(furan-2-carbonylamino)-3-methyl-butanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-methylbutanoic acid [2-(5-bromo-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-bromothiophen-2-yl)-2-oxoethyl] 2-(furan-2-carbonylamino)-3-methylbutanoate Traditional Name: 2-(2-furoylamino)-3-methyl-butyric acid [2-(5-bromo-2-thienyl)-2-keto-ethyl] ester Formula: C16H16BrNO5S MolecularWeight: 414.27094

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)C2=CC=CO2

Isomeric SMILES

CC(C)C(C(=O)OCC(=O)C1=CC=C(S1)Br)NC(=O)C2=CC=CO2

InChI

InChI=1S/C16H16BrNO5S/c1-9(2)14(18-15(20)11-4-3-7-22-11)16(21)23-8-10(19)12-5-6-13(17)24-12/h3-7,9,14H,8H2,1-2H3,(H,18,20)