2-[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]-2-methyl-butanoic acid

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]-2-methyl-butanoic acid Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)benzothiophene-2-carbonyl]amino]-2-methyl-butanoic acid CAS Name: 2-[[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophen-2-yl]-oxomethyl]amino]-2-methylbutanoic acid IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophene-2-carbonyl]amino]-2-methylbutanoic acid Traditional Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)benzothiophene-2-carbonyl]amino]-2-methyl-butyric acid Formula: C22H20N2O4S2 MolecularWeight: 440.5352

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CCC(C)(C(=O)O)NC(=O)C1=C(C2=CC=CC=C2S1)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H20N2O4S2/c1-3-22(2,21(26)27)24-20(25)19-18(13-8-4-6-10-15(13)30-19)28-12-17-23-14-9-5-7-11-16(14)29-17/h4-11H,3,12H2,1-2H3,(H,24,25)(H,26,27)