methyl 3-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(2-bromanyl-4-chloranyl-phenoxy)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(2-bromo-4-chlorophenoxy)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(2-bromo-4-chlorophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[2-(2-bromo-4-chloro-phenoxy)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H17BrClNO4S MolecularWeight: 446.74318

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(CC(=O)OC)C1=CC=CS1)OC2=C(C=C(C=C2)Cl)Br

Isomeric SMILES

CC(C(=O)NC(CC(=O)OC)C1=CC=CS1)OC2=C(C=C(C=C2)Cl)Br

InChI

InChI=1S/C17H17BrClNO4S/c1-10(24-14-6-5-11(19)8-12(14)18)17(22)20-13(9-16(21)23-2)15-4-3-7-25-15/h3-8,10,13H,9H2,1-2H3,(H,20,22)