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

Systemtic Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 1-benzofuran-2-carboxylate Openeye Name: [(3E)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] benzofuran-2-carboxylate CAS Name: 2-benzofurancarboxylic 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] 1-benzofuran-2-carboxylate Traditional Name: coumarilic acid [(3E)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C21H14N2O4S MolecularWeight: 390.41186

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3=CC4=CC=CC=C4O3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(\C#N)/C(=O)COC(=O)C3=CC4=CC=CC=C4O3

InChI

InChI=1S/C21H14N2O4S/c1-23-15-7-3-5-9-19(15)28-20(23)14(11-22)16(24)12-26-21(25)18-10-13-6-2-4-8-17(13)27-18/h2-10H,12H2,1H3/b20-14+