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

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] 3-methylbenzofuran-2-carboxylate CAS Name: 3-methyl-2-benzofurancarboxylic acid [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] ester IUPAC Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxopropyl] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C22H16N2O4S MolecularWeight: 404.43844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)C(=C3N(C4=CC=CC=C4S3)C)C#N

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OCC(=O)/C(=C\3/N(C4=CC=CC=C4S3)C)/C#N

InChI

InChI=1S/C22H16N2O4S/c1-13-14-7-3-5-9-18(14)28-20(13)22(26)27-12-17(25)15(11-23)21-24(2)16-8-4-6-10-19(16)29-21/h3-10H,12H2,1-2H3/b21-15-