tert-butyl 3-[2-cyano-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-3-yl]propanoate

Systemtic Name: tert-butyl 3-[2-cyano-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-3-yl]propanoate Openeye Name: tert-butyl 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)-3-pyridyl]propanoate CAS Name: 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)-3-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-3-yl]propanoate Traditional Name: 3-[2-cyano-6-(4-keto-1,3-benzothiazin-2-yl)-3-pyridyl]propionic acid tert-butyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O3S/c1-21(2,3)27-18(25)11-9-13-8-10-15(23-16(13)12-22)20-24-19(26)14-6-4-5-7-17(14)28-20/h4-8,10H,9,11H2,1-3H3