3-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]propanoic acid

Systemtic Name: 3-[2-oxidanylidene-6-(phenylcarbonyl)-1,3-benzothiazol-3-yl]propanoic acid Openeye Name: 3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid CAS Name: 3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid IUPAC Name: 3-(6-benzoyl-2-oxo-1,3-benzothiazol-3-yl)propanoic acid Traditional Name: 3-(6-benzoyl-2-keto-1,3-benzothiazol-3-yl)propionic acid Formula: C17H13NO4S MolecularWeight: 327.35442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)N(C(=O)S3)CCC(=O)O

InChI

InChI=1S/C17H13NO4S/c19-15(20)8-9-18-13-7-6-12(10-14(13)23-17(18)22)16(21)11-4-2-1-3-5-11/h1-7,10H,8-9H2,(H,19,20)