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

Systemtic Name: ethyl 2-cyano-2-[3-cyano-2-methyl-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-(3-cyano-2-methyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetate CAS Name: 2-cyano-2-(3-cyano-2-methyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3-cyano-2-methyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-(3-cyano-1,1-diketo-2-methyl-1,2-benzothiazol-3-yl)acetic acid ethyl ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1C)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1C)C#N

InChI

InChI=1S/C14H13N3O4S/c1-3-21-13(18)11(8-15)14(9-16)10-6-4-5-7-12(10)22(19,20)17(14)2/h4-7,11H,3H2,1-2H3