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

Systemtic Name: methyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-4-methyl-pentanoate Openeye Name: methyl 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-4-methyl-pentanoate CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-4-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-4-methylpentanoate Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-4-methyl-valeric acid methyl ester Formula: C21H26N2O6S MolecularWeight: 434.50594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-5-14-18(19(25)20(22)26)17-13(7-6-8-15(17)30-14)29-10-16(24)23-12(9-11(2)3)21(27)28-4/h6-8,11-12H,5,9-10H2,1-4H3,(H2,22,26)(H,23,24)