ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-yl]ethanoate

Systemtic Name: ethyl 2-cyano-2-[3-cyano-1,1-bis(oxidanylidene)-2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-yl]ethanoate Openeye Name: ethyl 2-cyano-2-[3-cyano-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-yl]acetate CAS Name: 2-cyano-2-[3-cyano-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-cyano-2-[3-cyano-1,1-dioxo-2-[(4-phenylphenyl)methyl]-1,2-benzothiazol-3-yl]acetate Traditional Name: 2-cyano-2-[3-cyano-1,1-diketo-2-(4-phenylbenzyl)-1,2-benzothiazol-3-yl]acetic acid ethyl ester Formula: C26H21N3O4S MolecularWeight: 471.52764

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4)C#N

Isomeric SMILES

CCOC(=O)C(C#N)C1(C2=CC=CC=C2S(=O)(=O)N1CC3=CC=C(C=C3)C4=CC=CC=C4)C#N

InChI

InChI=1S/C26H21N3O4S/c1-2-33-25(30)23(16-27)26(18-28)22-10-6-7-11-24(22)34(31,32)29(26)17-19-12-14-21(15-13-19)20-8-4-3-5-9-20/h3-15,23H,2,17H2,1H3