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

Systemtic Name: methyl 2-[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]ethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[(2-ethyl-3-oxamoyl-1-benzothiophen-4-yl)oxy]acetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-(2-ethyl-3-oxamoyl-benzothiophen-4-yl)oxyacetyl]amino]-3-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(C(C)CC)C(=O)OC)C(=O)C(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O6S/c1-5-11(3)18(21(27)28-4)23-15(24)10-29-12-8-7-9-14-16(12)17(13(6-2)30-14)19(25)20(22)26/h7-9,11,18H,5-6,10H2,1-4H3,(H2,22,26)(H,23,24)