2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromanyl-3-methyl-1-oxidanylidene-2-(pentanoylamino)butan-2-yl]benzoic acid

Systemtic Name: 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromanyl-3-methyl-1-oxidanylidene-2-(pentanoylamino)butan-2-yl]benzoic acid Openeye Name: 2-[1-(benzothiophen-5-ylmethoxycarbonyl)-2-bromo-2-methyl-1-(pentanoylamino)propyl]benzoic acid CAS Name: 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromo-3-methyl-1-oxo-2-(1-oxopentylamino)butan-2-yl]benzoic acid IUPAC Name: 2-[1-(1-benzothiophen-5-ylmethoxy)-3-bromo-3-methyl-1-oxo-2-(pentanoylamino)butan-2-yl]benzoic acid Traditional Name: 2-[1-(benzothiophen-5-ylmethoxycarbonyl)-2-bromo-2-methyl-1-(valerylamino)propyl]benzoic acid Formula: C26H28BrNO5S MolecularWeight: 546.47322

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(C1=CC=CC=C1C(=O)O)(C(=O)OCC2=CC3=C(C=C2)SC=C3)C(C)(C)Br

Isomeric SMILES

CCCCC(=O)NC(C1=CC=CC=C1C(=O)O)(C(=O)OCC2=CC3=C(C=C2)SC=C3)C(C)(C)Br

InChI

InChI=1S/C26H28BrNO5S/c1-4-5-10-22(29)28-26(25(2,3)27,20-9-7-6-8-19(20)23(30)31)24(32)33-16-17-11-12-21-18(15-17)13-14-34-21/h6-9,11-15H,4-5,10,16H2,1-3H3,(H,28,29)(H,30,31)