methyl 3-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-[(3-bromophenyl)carbonylamino]ethanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-[[(3-bromophenyl)-oxomethyl]amino]-1-oxoethyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[[2-[(3-bromobenzoyl)amino]acetyl]amino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H17BrN2O4S MolecularWeight: 425.29688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17BrN2O4S/c1-24-16(22)9-13(14-6-3-7-25-14)20-15(21)10-19-17(23)11-4-2-5-12(18)8-11/h2-8,13H,9-10H2,1H3,(H,19,23)(H,20,21)