2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid

Systemtic Name: 2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-oxidanylidene-4-sulfanyl-butanoic acid Openeye Name: 2-(4-morpholino-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanyl-butanoic acid CAS Name: 4-mercapto-2-[4-(4-morpholinyl)-1,3-benzothiazol-2-yl]-4-oxobutanoic acid IUPAC Name: 2-(4-morpholin-4-yl-1,3-benzothiazol-2-yl)-4-oxo-4-sulfanylbutanoic acid Traditional Name: 4-keto-4-mercapto-2-(4-morpholino-1,3-benzothiazol-2-yl)butyric acid Formula: C15H16N2O4S2 MolecularWeight: 352.42854

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C3C(=CC=C2)SC(=N3)C(CC(=O)S)C(=O)O

Isomeric SMILES

C1COCCN1C2=C3C(=CC=C2)SC(=N3)C(CC(=O)S)C(=O)O

InChI

InChI=1S/C15H16N2O4S2/c18-12(22)8-9(15(19)20)14-16-13-10(2-1-3-11(13)23-14)17-4-6-21-7-5-17/h1-3,9H,4-8H2,(H,18,22)(H,19,20)