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

Systemtic Name: tert-butyl 3-[2-methylsulfanyl-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Openeye Name: tert-butyl 3-[2-methylsulfanyl-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoate CAS Name: 3-[2-(methylthio)-6-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-methylsulfanyl-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Traditional Name: 3-[2-(4-keto-1,3-benzothiazin-2-yl)-6-(methylthio)-4-pyridyl]propionic acid tert-butyl ester Formula: C21H22N2O3S2 MolecularWeight: 414.54098

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCC1=CC(=NC(=C1)SC)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC(C)(C)OC(=O)CCC1=CC(=NC(=C1)SC)C2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S2/c1-21(2,3)26-18(24)10-9-13-11-15(22-17(12-13)27-4)20-23-19(25)14-7-5-6-8-16(14)28-20/h5-8,11-12H,9-10H2,1-4H3