2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanoyl]oxyethanesulfonic acid

Systemtic Name: 2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)ethanoyl]oxyethanesulfonic acid Openeye Name: 2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetyl]oxyethanesulfonic acid CAS Name: 2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)-1-oxoethoxy]ethanesulfonic acid IUPAC Name: 2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetyl]oxyethanesulfonic acid Traditional Name: 2-[(2Z)-2-cyano-2-(3-methyl-1,3-benzothiazol-2-ylidene)acetyl]oxyethanesulfonic acid Formula: C13H12N2O5S2 MolecularWeight: 340.37478

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)OCCS(=O)(=O)O

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)OCCS(=O)(=O)O

InChI

InChI=1S/C13H12N2O5S2/c1-15-10-4-2-3-5-11(10)21-12(15)9(8-14)13(16)20-6-7-22(17,18)19/h2-5H,6-7H2,1H3,(H,17,18,19)/b12-9-