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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)CCC(=O)OC(C)(C)C)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC1=CC(=NC(=C1)CCC(=O)OC(C)(C)C)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C21H21ClN2O3S/c1-12-9-14(6-8-18(25)27-21(2,3)4)23-16(10-12)20-24-19(26)15-7-5-13(22)11-17(15)28-20/h5,7,9-11H,6,8H2,1-4H3