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

Systemtic Name: ethyl (2Z)-2-[2-butyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-(2-butyl-1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-cyano-acetate CAS Name: (2Z)-2-(2-butyl-1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-cyanoacetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-(2-butyl-1,1-dioxo-1,2-benzothiazol-3-ylidene)-2-cyanoacetate Traditional Name: (2Z)-2-(2-butyl-1,1-diketo-1,2-benzothiazol-3-ylidene)-2-cyano-acetic acid ethyl ester Formula: C16H18N2O4S MolecularWeight: 334.39012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCN1/C(=C(/C#N)\C(=O)OCC)/C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C16H18N2O4S/c1-3-5-10-18-15(13(11-17)16(19)22-4-2)12-8-6-7-9-14(12)23(18,20)21/h6-9H,3-5,10H2,1-2H3/b15-13-