3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid

Systemtic Name: 3-(3H-1,3-benzothiazol-2-ylidene)-6-oxidanylidene-cyclohexa-1,4-diene-1-carboxylic acid Openeye Name: 3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-cyclohexa-1,4-diene-1-carboxylic acid CAS Name: 3-(3H-1,3-benzothiazol-2-ylidene)-6-oxo-1-cyclohexa-1,4-dienecarboxylic acid IUPAC Name: 3-(3H-1,3-benzothiazol-2-ylidene)-6-oxocyclohexa-1,4-diene-1-carboxylic acid Traditional Name: 3-(3H-1,3-benzothiazol-2-ylidene)-6-keto-cyclohexa-1,4-diene-1-carboxylic acid Formula: C14H9NO3S MolecularWeight: 271.29116

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C(=C3)C(=O)O)S2

Isomeric SMILES

C1=CC=C2C(=C1)NC(=C3C=CC(=O)C(=C3)C(=O)O)S2

InChI

InChI=1S/C14H9NO3S/c16-11-6-5-8(7-9(11)14(17)18)13-15-10-3-1-2-4-12(10)19-13/h1-7,15H,(H,17,18)