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

Systemtic Name: tert-butyl 3-[6-(7-methoxy-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Openeye Name: tert-butyl 3-[6-(7-methoxy-4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoate CAS Name: 3-[6-(7-methoxy-4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(7-methoxy-4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Traditional Name: 3-[6-(4-keto-7-methoxy-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid tert-butyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O4S/c1-21(2,3)27-18(24)11-8-13-6-5-7-16(22-13)20-23-19(25)15-10-9-14(26-4)12-17(15)28-20/h5-7,9-10,12H,8,11H2,1-4H3