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

Systemtic Name: tert-butyl 3-[2-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Openeye Name: tert-butyl 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoate CAS Name: 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Traditional Name: 3-[2-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-4-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(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H19ClN2O3S/c1-20(2,3)26-17(24)7-4-12-8-9-22-15(10-12)19-23-18(25)14-6-5-13(21)11-16(14)27-19/h5-6,8-11H,4,7H2,1-3H3