(E)-3-ethoxy-2-[2-methyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-oxidanyl-prop-2-enenitrile

Systemtic Name: (E)-3-ethoxy-2-[2-methyl-1,1-bis(oxidanylidene)-3H-1,2-benzothiazol-3-yl]-3-oxidanyl-prop-2-enenitrile Openeye Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)prop-2-enenitrile CAS Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)-2-propenenitrile IUPAC Name: (E)-3-ethoxy-3-hydroxy-2-(2-methyl-1,1-dioxo-3H-1,2-benzothiazol-3-yl)prop-2-enenitrile Traditional Name: (E)-2-(1,1-diketo-2-methyl-3H-1,2-benzothiazol-3-yl)-3-ethoxy-3-hydroxy-acrylonitrile Formula: C13H14N2O4S MolecularWeight: 294.32626

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=C(C#N)C1C2=CC=CC=C2S(=O)(=O)N1C)O

Isomeric SMILES

CCO/C(=C(/C#N)\C1C2=CC=CC=C2S(=O)(=O)N1C)/O

InChI

InChI=1S/C13H14N2O4S/c1-3-19-13(16)10(8-14)12-9-6-4-5-7-11(9)20(17,18)15(12)2/h4-7,12,16H,3H2,1-2H3/b13-10-