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

Systemtic Name: ethyl 2-cyano-2-[3-cyano-2-ethyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-(3-cyano-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetate CAS Name: 2-cyano-2-(3-cyano-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3-cyano-2-ethyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-(3-cyano-2-ethyl-1,1-diketo-1,2-benzothiazol-3-yl)acetic acid ethyl ester Formula: C15H15N3O4S MolecularWeight: 333.3623

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

Isomeric SMILES

CCN1C(C2=CC=CC=C2S1(=O)=O)(C#N)C(C#N)C(=O)OCC

InChI

InChI=1S/C15H15N3O4S/c1-3-18-15(10-17,12(9-16)14(19)22-4-2)11-7-5-6-8-13(11)23(18,20)21/h5-8,12H,3-4H2,1-2H3