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

Systemtic Name: tert-butyl 3-[2-cyano-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Openeye Name: tert-butyl 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoate CAS Name: 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-cyano-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Traditional Name: 3-[2-cyano-6-(4-keto-1,3-benzothiazin-2-yl)-4-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=CC(=NC(=C1)C#N)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

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

InChI

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