2-[3-cyano-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid

Systemtic Name: 2-[3-cyano-3-(1-cyano-2-ethoxy-2-oxidanylidene-ethyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-2-yl]ethanoic acid Openeye Name: 2-[3-cyano-3-(1-cyano-2-ethoxy-2-oxo-ethyl)-1,1-dioxo-1,2-benzothiazol-2-yl]acetic acid CAS Name: 2-[3-cyano-3-(1-cyano-2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-2-yl]acetic acid IUPAC Name: 2-[3-cyano-3-(1-cyano-2-ethoxy-2-oxoethyl)-1,1-dioxo-1,2-benzothiazol-2-yl]acetic acid Traditional Name: 2-[3-cyano-3-(1-cyano-2-ethoxy-2-keto-ethyl)-1,1-diketo-1,2-benzothiazol-2-yl]acetic acid Formula: C15H13N3O6S MolecularWeight: 363.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC(=O)O)C#N

InChI

InChI=1S/C15H13N3O6S/c1-2-24-14(21)11(7-16)15(9-17)10-5-3-4-6-12(10)25(22,23)18(15)8-13(19)20/h3-6,11H,2,8H2,1H3,(H,19,20)