[(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 4-(thiophen-2-ylsulfonylamino)benzoate

Systemtic Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxidanylidene-propyl] 4-(thiophen-2-ylsulfonylamino)benzoate Openeye Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxo-propyl] 4-(2-thienylsulfonylamino)benzoate CAS Name: 4-(thiophen-2-ylsulfonylamino)benzoic acid [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] ester IUPAC Name: [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-oxopropyl] 4-(thiophen-2-ylsulfonylamino)benzoate Traditional Name: 4-(2-thienylsulfonylamino)benzoic acid [(3Z)-3-(3H-1,3-benzothiazol-2-ylidene)-3-cyano-2-keto-propyl] ester Formula: C22H15N3O5S3 MolecularWeight: 497.5666

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=C(C#N)C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)S2

Isomeric SMILES

C1=CC=C2C(=C1)N/C(=C(\C#N)/C(=O)COC(=O)C3=CC=C(C=C3)NS(=O)(=O)C4=CC=CS4)/S2

InChI

InChI=1S/C22H15N3O5S3/c23-12-16(21-24-17-4-1-2-5-19(17)32-21)18(26)13-30-22(27)14-7-9-15(10-8-14)25-33(28,29)20-6-3-11-31-20/h1-11,24-25H,13H2/b21-16-