tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-7-fluoranyl-2-oxidanylidene-indol-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-7-fluoranyl-2-oxidanylidene-indol-1-yl]ethanoate Openeye Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylene)-7-fluoro-2-oxo-indolin-1-yl]acetate CAS Name: 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-7-fluoro-2-oxo-1-indolyl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylidene)-7-fluoro-2-oxoindol-1-yl]acetate Traditional Name: 2-[(3E)-3-(1,3-benzothiazol-2-ylmethylene)-7-fluoro-2-keto-indolin-1-yl]acetic acid tert-butyl ester Formula: C22H19FN2O3S MolecularWeight: 410.461263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1C2=C(C=CC=C2F)C(=CC3=NC4=CC=CC=C4S3)C1=O

Isomeric SMILES

CC(C)(C)OC(=O)CN1C2=C(C=CC=C2F)/C(=C\C3=NC4=CC=CC=C4S3)/C1=O

InChI

InChI=1S/C22H19FN2O3S/c1-22(2,3)28-19(26)12-25-20-13(7-6-8-15(20)23)14(21(25)27)11-18-24-16-9-4-5-10-17(16)29-18/h4-11H,12H2,1-3H3/b14-11+