(E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pent-2-enenitrile

Systemtic Name: (E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-1,2-benzothiazol-2-yl]pent-2-enenitrile Openeye Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pent-2-enenitrile CAS Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)-2-pentenenitrile IUPAC Name: (E)-3-methyl-4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pent-2-enenitrile Traditional Name: (E)-3-methyl-4-(1,1,3-triketo-1,2-benzothiazol-2-yl)pent-2-enenitrile Formula: C13H12N2O3S MolecularWeight: 276.31098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=CC#N)C)N1C(=O)C2=CC=CC=C2S1(=O)=O

Isomeric SMILES

CC(/C(=C/C#N)/C)N1C(=O)C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C13H12N2O3S/c1-9(7-8-14)10(2)15-13(16)11-5-3-4-6-12(11)19(15,17)18/h3-7,10H,1-2H3/b9-7+