methyl 3-[2-[4-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[4-[(5-bromanylfuran-2-yl)carbonylamino]phenyl]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[4-[[(5-bromo-2-furanyl)-oxomethyl]amino]phenyl]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-[(5-bromofuran-2-carbonyl)amino]phenyl]acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-[4-[(5-bromo-2-furoyl)amino]phenyl]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C21H19BrN2O5S MolecularWeight: 491.35496

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC(C1=CC=CS1)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

Isomeric SMILES

COC(=O)CC(C1=CC=CS1)NC(=O)CC2=CC=C(C=C2)NC(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C21H19BrN2O5S/c1-28-20(26)12-15(17-3-2-10-30-17)24-19(25)11-13-4-6-14(7-5-13)23-21(27)16-8-9-18(22)29-16/h2-10,15H,11-12H2,1H3,(H,23,27)(H,24,25)