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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophen-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)benzothiophene-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophen-2-yl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)-1-benzothiophene-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)benzothiophene-2-carbonyl]amino]-2-methyl-propionic acid Formula: C21H18N2O4S2 MolecularWeight: 426.50862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O4S2/c1-21(2,20(25)26)23-19(24)18-17(12-7-3-5-9-14(12)29-18)27-11-16-22-13-8-4-6-10-15(13)28-16/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26)