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

Systemtic Name: ethyl (2Z)-2-[1,1-bis(oxidanylidene)-2-pentan-3-yl-1,2-benzothiazol-3-ylidene]-2-cyano-ethanoate Openeye Name: ethyl (2Z)-2-cyano-2-[2-(1-ethylpropyl)-1,1-dioxo-1,2-benzothiazol-3-ylidene]acetate CAS Name: (2Z)-2-cyano-2-(1,1-dioxo-2-pentan-3-yl-1,2-benzothiazol-3-ylidene)acetic acid ethyl ester IUPAC Name: ethyl (2Z)-2-cyano-2-(1,1-dioxo-2-pentan-3-yl-1,2-benzothiazol-3-ylidene)acetate Traditional Name: (2Z)-2-cyano-2-[2-(1-ethylpropyl)-1,1-diketo-1,2-benzothiazol-3-ylidene]acetic acid ethyl ester Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC(CC)N1/C(=C(/C#N)\C(=O)OCC)/C2=CC=CC=C2S1(=O)=O

InChI

InChI=1S/C17H20N2O4S/c1-4-12(5-2)19-16(14(11-18)17(20)23-6-3)13-9-7-8-10-15(13)24(19,21)22/h7-10,12H,4-6H2,1-3H3/b16-14-