[(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(methylsulfonylamino)benzoate

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2-(methylsulfonylamino)benzoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 2-(methanesulfonamido)benzoate CAS Name: 2-(methanesulfonamido)benzoic acid [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 2-(methanesulfonamido)benzoate Traditional Name: 2-(methanesulfonamido)benzoic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C20H17N3O5S2 MolecularWeight: 443.49608

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)COC(=O)C3=CC=CC=C3NS(=O)(=O)C

InChI

InChI=1S/C20H17N3O5S2/c1-23-16-9-5-6-10-18(16)29-19(23)14(11-21)17(24)12-28-20(25)13-7-3-4-8-15(13)22-30(2,26)27/h3-10,22H,12H2,1-2H3/b19-14+