2-(4-ethyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanoic acid

Systemtic Name: 2-(4-ethyl-2-oxidanylidene-1,3-benzothiazol-3-yl)propanoic acid Openeye Name: 2-(4-ethyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 2-(4-ethyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 2-(4-ethyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 2-(4-ethyl-2-keto-1,3-benzothiazol-3-yl)propionic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C2C(=CC=C1)SC(=O)N2C(C)C(=O)O

Isomeric SMILES

CCC1=C2C(=CC=C1)SC(=O)N2C(C)C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-3-8-5-4-6-9-10(8)13(12(16)17-9)7(2)11(14)15/h4-7H,3H2,1-2H3,(H,14,15)