methyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-3-methyl-butanoate Openeye Name: methyl 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-methyl-butanoate CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-3-methylbutanoate Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-methyl-butyric acid methyl ester Formula: C20H24N2O6S MolecularWeight: 420.47936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(C(C)C)C(=O)OC)C(=O)C(=O)N

Isomeric SMILES

CCC1=C(C2=C(C=CC=C2S1)OCC(=O)NC(C(C)C)C(=O)OC)C(=O)C(=O)N

InChI

InChI=1S/C20H24N2O6S/c1-5-12-16(18(24)19(21)25)15-11(7-6-8-13(15)29-12)28-9-14(23)22-17(10(2)3)20(26)27-4/h6-8,10,17H,5,9H2,1-4H3,(H2,21,25)(H,22,23)