[(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2,3-dihydro-1H-indene-5-carboxylate

Systemtic Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxidanylidene-propyl] 2,3-dihydro-1H-indene-5-carboxylate Openeye Name: [(3Z)-3-cyano-3-(3-methyl-1,3-benzothiazol-2-ylidene)-2-oxo-propyl] indane-5-carboxylate CAS Name: 2,3-dihydro-1H-indene-5-carboxylic 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] 2,3-dihydro-1H-indene-5-carboxylate Traditional Name: indane-5-carboxylic acid [(3Z)-3-cyano-2-keto-3-(3-methyl-1,3-benzothiazol-2-ylidene)propyl] ester Formula: C22H18N2O3S MolecularWeight: 390.45492

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2SC1=C(C#N)C(=O)COC(=O)C3=CC4=C(CCC4)C=C3

Isomeric SMILES

CN\1C2=CC=CC=C2S/C1=C(/C#N)\C(=O)COC(=O)C3=CC4=C(CCC4)C=C3

InChI

InChI=1S/C22H18N2O3S/c1-24-18-7-2-3-8-20(18)28-21(24)17(12-23)19(25)13-27-22(26)16-10-9-14-5-4-6-15(14)11-16/h2-3,7-11H,4-6,13H2,1H3/b21-17-