tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate

Systemtic Name: tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxidanylidene-chromen-7-yl]oxyethanoate Openeye Name: tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxo-chromen-7-yl]oxyacetate CAS Name: 2-[[3-(1,3-benzothiazol-2-yl)-2-oxo-1-benzopyran-7-yl]oxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[3-(1,3-benzothiazol-2-yl)-2-oxochromen-7-yl]oxyacetate Traditional Name: 2-[3-(1,3-benzothiazol-2-yl)-2-keto-chromen-7-yl]oxyacetic acid tert-butyl ester Formula: C22H19NO5S MolecularWeight: 409.45496

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)COC1=CC2=C(C=C1)C=C(C(=O)O2)C3=NC4=CC=CC=C4S3

InChI

InChI=1S/C22H19NO5S/c1-22(2,3)28-19(24)12-26-14-9-8-13-10-15(21(25)27-17(13)11-14)20-23-16-6-4-5-7-18(16)29-20/h4-11H,12H2,1-3H3