3-[(2Z)-2-(1-cyano-2-methoxy-2-oxidanylidene-ethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid

Systemtic Name: 3-[(2Z)-2-(1-cyano-2-methoxy-2-oxidanylidene-ethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Openeye Name: 3-[(2Z)-2-(1-cyano-2-methoxy-2-oxo-ethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid CAS Name: 3-[(2Z)-2-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-benzothiazol-3-yl]-1-propanesulfonic acid IUPAC Name: 3-[(2Z)-2-(1-cyano-2-methoxy-2-oxoethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Traditional Name: 3-[(2Z)-2-(1-cyano-2-keto-2-methoxy-ethylidene)-1,3-benzothiazol-3-yl]propane-1-sulfonic acid Formula: C14H14N2O5S2 MolecularWeight: 354.40136

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C1N(C2=CC=CC=C2S1)CCCS(=O)(=O)O)C#N

Isomeric SMILES

COC(=O)/C(=C\1/N(C2=CC=CC=C2S1)CCCS(=O)(=O)O)/C#N

InChI

InChI=1S/C14H14N2O5S2/c1-21-14(17)10(9-15)13-16(7-4-8-23(18,19)20)11-5-2-3-6-12(11)22-13/h2-3,5-6H,4,7-8H2,1H3,(H,18,19,20)/b13-10-