ethyl 2-[2-butyl-3-cyano-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-cyano-ethanoate

Systemtic Name: ethyl 2-[2-butyl-3-cyano-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]-2-cyano-ethanoate Openeye Name: ethyl 2-(2-butyl-3-cyano-1,1-dioxo-1,2-benzothiazol-3-yl)-2-cyano-acetate CAS Name: 2-(2-butyl-3-cyano-1,1-dioxo-1,2-benzothiazol-3-yl)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl 2-(2-butyl-3-cyano-1,1-dioxo-1,2-benzothiazol-3-yl)-2-cyanoacetate Traditional Name: 2-(2-butyl-3-cyano-1,1-diketo-1,2-benzothiazol-3-yl)-2-cyano-acetic acid ethyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

Isomeric SMILES

CCCCN1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

InChI

InChI=1S/C17H19N3O4S/c1-3-5-10-20-17(12-19,14(11-18)16(21)24-4-2)13-8-6-7-9-15(13)25(20,22)23/h6-9,14H,3-5,10H2,1-2H3