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

Systemtic Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)thieno[2,3-b]pyridin-2-yl]carbonylamino]-2-methyl-propanoic acid Openeye Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)thieno[2,3-b]pyridine-2-carbonyl]amino]-2-methyl-propanoic acid CAS Name: 2-[[[3-(1,3-benzothiazol-2-ylmethoxy)-2-thieno[2,3-b]pyridinyl]-oxomethyl]amino]-2-methylpropanoic acid IUPAC Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)thieno[2,3-b]pyridine-2-carbonyl]amino]-2-methylpropanoic acid Traditional Name: 2-[[3-(1,3-benzothiazol-2-ylmethoxy)thieno[2,3-b]pyridine-2-carbonyl]amino]-2-methyl-propionic acid Formula: C20H17N3O4S2 MolecularWeight: 427.49668

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C(=O)O)NC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C(=O)O)NC(=O)C1=C(C2=C(S1)N=CC=C2)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H17N3O4S2/c1-20(2,19(25)26)23-17(24)16-15(11-6-5-9-21-18(11)29-16)27-10-14-22-12-7-3-4-8-13(12)28-14/h3-9H,10H2,1-2H3,(H,23,24)(H,25,26)