2-(6-methoxy-3-oxidanylidene-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid

Systemtic Name: 2-(6-methoxy-3-oxidanylidene-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid Openeye Name: 2-(6-methoxy-3-oxo-1,2-benzothiazol-2-yl)-4-methyl-pentanoic acid CAS Name: 2-(6-methoxy-3-oxo-1,2-benzothiazol-2-yl)-4-methylpentanoic acid IUPAC Name: 2-(6-methoxy-3-oxo-1,2-benzothiazol-2-yl)-4-methylpentanoic acid Traditional Name: 2-(3-keto-6-methoxy-1,2-benzothiazol-2-yl)-4-methyl-valeric acid Formula: C14H17NO4S MolecularWeight: 295.35408

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)C=C(C=C2)OC

Isomeric SMILES

CC(C)CC(C(=O)O)N1C(=O)C2=C(S1)C=C(C=C2)OC

InChI

InChI=1S/C14H17NO4S/c1-8(2)6-11(14(17)18)15-13(16)10-5-4-9(19-3)7-12(10)20-15/h4-5,7-8,11H,6H2,1-3H3,(H,17,18)