tert-butyl 3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]propanoate

Systemtic Name: tert-butyl 3-[3-(4-oxidanylidene-1,3-benzothiazin-2-yl)phenyl]propanoate Openeye Name: tert-butyl 3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoate CAS Name: 3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[3-(4-oxo-1,3-benzothiazin-2-yl)phenyl]propanoate Traditional Name: 3-[3-(4-keto-1,3-benzothiazin-2-yl)phenyl]propionic acid tert-butyl ester Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=CC(=C1)C2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H21NO3S/c1-21(2,3)25-18(23)12-11-14-7-6-8-15(13-14)20-22-19(24)16-9-4-5-10-17(16)26-20/h4-10,13H,11-12H2,1-3H3