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

Systemtic Name: ethyl 2-cyano-2-[3-cyano-2-(naphthalen-2-ylmethyl)-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[3-cyano-2-(2-naphthylmethyl)-1,1-dioxo-1,2-benzothiazol-3-yl]acetate CAS Name: 2-cyano-2-[3-cyano-2-(2-naphthalenylmethyl)-1,1-dioxo-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[3-cyano-2-(naphthalen-2-ylmethyl)-1,1-dioxo-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-cyano-2-[3-cyano-1,1-diketo-2-(2-naphthylmethyl)-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC4=CC=CC=C4C=C3)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC4=CC=CC=C4C=C3)C#N

InChI

InChI=1S/C24H19N3O4S/c1-2-31-23(28)21(14-25)24(16-26)20-9-5-6-10-22(20)32(29,30)27(24)15-17-11-12-18-7-3-4-8-19(18)13-17/h3-13,21H,2,15H2,1H3