tert-butyl 3-[6-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate

Systemtic Name: tert-butyl 3-[6-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Openeye Name: tert-butyl 3-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoate CAS Name: 3-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Traditional Name: 3-[6-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid tert-butyl ester Formula: C20H19ClN2O3S MolecularWeight: 402.89446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-20(2,3)26-17(24)10-8-13-5-4-6-15(22-13)19-23-18(25)14-9-7-12(21)11-16(14)27-19/h4-7,9,11H,8,10H2,1-3H3