(E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-5-propyl-1,2-benzothiazol-2-yl]but-2-enenitrile

Systemtic Name: (E)-3-methyl-4-[1,1,3-tris(oxidanylidene)-5-propyl-1,2-benzothiazol-2-yl]but-2-enenitrile Openeye Name: (E)-3-methyl-4-(1,1,3-trioxo-5-propyl-1,2-benzothiazol-2-yl)but-2-enenitrile CAS Name: (E)-3-methyl-4-(1,1,3-trioxo-5-propyl-1,2-benzothiazol-2-yl)-2-butenenitrile IUPAC Name: (E)-3-methyl-4-(1,1,3-trioxo-5-propyl-1,2-benzothiazol-2-yl)but-2-enenitrile Traditional Name: (E)-3-methyl-4-(1,1,3-triketo-5-propyl-1,2-benzothiazol-2-yl)but-2-enenitrile Formula: C15H16N2O3S MolecularWeight: 304.36414

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC2=C(C=C1)S(=O)(=O)N(C2=O)CC(=CC#N)C

Isomeric SMILES

CCCC1=CC2=C(C=C1)S(=O)(=O)N(C2=O)C/C(=C/C#N)/C

InChI

InChI=1S/C15H16N2O3S/c1-3-4-12-5-6-14-13(9-12)15(18)17(21(14,19)20)10-11(2)7-8-16/h5-7,9H,3-4,10H2,1-2H3/b11-7+