methyl 3-[2-(4-bromanylphenoxy)propanoylamino]-3-thiophen-2-yl-propanoate

Systemtic Name: methyl 3-[2-(4-bromanylphenoxy)propanoylamino]-3-thiophen-2-yl-propanoate Openeye Name: methyl 3-[2-(4-bromophenoxy)propanoylamino]-3-(2-thienyl)propanoate CAS Name: 3-[[2-(4-bromophenoxy)-1-oxopropyl]amino]-3-thiophen-2-ylpropanoic acid methyl ester IUPAC Name: methyl 3-[2-(4-bromophenoxy)propanoylamino]-3-thiophen-2-ylpropanoate Traditional Name: 3-[2-(4-bromophenoxy)propanoylamino]-3-(2-thienyl)propionic acid methyl ester Formula: C17H18BrNO4S MolecularWeight: 412.29812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrNO4S/c1-11(23-13-7-5-12(18)6-8-13)17(21)19-14(10-16(20)22-2)15-4-3-9-24-15/h3-9,11,14H,10H2,1-2H3,(H,19,21)