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

Systemtic Name: ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-propan-2-yl-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-(3-cyano-2-isopropyl-1,1-dioxo-1,2-benzothiazol-3-yl)acetate CAS Name: 2-cyano-2-(3-cyano-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-(3-cyano-1,1-dioxo-2-propan-2-yl-1,2-benzothiazol-3-yl)acetate Traditional Name: 2-cyano-2-(3-cyano-2-isopropyl-1,1-diketo-1,2-benzothiazol-3-yl)acetic acid ethyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O4S/c1-4-23-15(20)13(9-17)16(10-18)12-7-5-6-8-14(12)24(21,22)19(16)11(2)3/h5-8,11,13H,4H2,1-3H3