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

Systemtic Name: ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-(phenylmethyl)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-(2-benzyl-3-cyano-1,1-dioxo-1,2-benzothiazol-3-yl)-2-cyano-acetate CAS Name: 2-cyano-2-[3-cyano-1,1-dioxo-2-(phenylmethyl)-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzyl-3-cyano-1,1-dioxo-1,2-benzothiazol-3-yl)-2-cyanoacetate Traditional Name: 2-(2-benzyl-3-cyano-1,1-diketo-1,2-benzothiazol-3-yl)-2-cyano-acetic acid ethyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC=CC=C3)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H17N3O4S/c1-2-27-19(24)17(12-21)20(14-22)16-10-6-7-11-18(16)28(25,26)23(20)13-15-8-4-3-5-9-15/h3-11,17H,2,13H2,1H3