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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-(phenylsulfonylamino)propanoate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3-(benzenesulfonamido)propanoate CAS Name: 3-(benzenesulfonamido)propanoic 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] 3-(benzenesulfonamido)propanoate Traditional Name: 3-(benzenesulfonamido)propionic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H19N3O5S2 MolecularWeight: 457.52266

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O5S2/c1-24-17-9-5-6-10-19(17)30-21(24)16(13-22)18(25)14-29-20(26)11-12-23-31(27,28)15-7-3-2-4-8-15/h2-10,23H,11-12,14H2,1H3/b21-16+