2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid

Systemtic Name: 2-[[6-[(2-morpholin-4-ylcarbonylphenyl)carbonylamino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Openeye Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid CAS Name: 2-[[6-[[[2-[4-morpholinyl(oxo)methyl]phenyl]-oxomethyl]amino]-1,3-benzothiazol-2-yl]thio]propanoic acid IUPAC Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]sulfanyl]propanoic acid Traditional Name: 2-[[6-[[2-(morpholine-4-carbonyl)benzoyl]amino]-1,3-benzothiazol-2-yl]thio]propionic acid Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

Isomeric SMILES

CC(C(=O)O)SC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)N4CCOCC4

InChI

InChI=1S/C22H21N3O5S2/c1-13(21(28)29)31-22-24-17-7-6-14(12-18(17)32-22)23-19(26)15-4-2-3-5-16(15)20(27)25-8-10-30-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,23,26)(H,28,29)