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

Systemtic Name: tert-butyl 3-[2-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)-6-methyl-pyridin-4-yl]propanoate Openeye Name: tert-butyl 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-6-methyl-4-pyridyl]propanoate CAS Name: 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-6-methyl-4-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-6-methylpyridin-4-yl]propanoate Traditional Name: 3-[2-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-6-methyl-4-pyridyl]propionic acid tert-butyl ester Formula: C21H21ClN2O3S MolecularWeight: 416.92104

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=N1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl)CCC(=O)OC(C)(C)C

InChI

InChI=1S/C21H21ClN2O3S/c1-12-9-13(5-8-18(25)27-21(2,3)4)10-16(23-12)20-24-19(26)15-7-6-14(22)11-17(15)28-20/h6-7,9-11H,5,8H2,1-4H3