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

Systemtic Name: tert-butyl 3-[4-methyl-6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Openeye Name: tert-butyl 3-[4-methyl-6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoate CAS Name: 3-[4-methyl-6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-methyl-6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Traditional Name: 3-[6-(4-keto-1,3-benzothiazin-2-yl)-4-methyl-2-pyridyl]propionic acid tert-butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=C1)CCC(=O)OC(C)(C)C)C2=NC(=O)C3=CC=CC=C3S2

Isomeric SMILES

CC1=CC(=NC(=C1)CCC(=O)OC(C)(C)C)C2=NC(=O)C3=CC=CC=C3S2

InChI

InChI=1S/C21H22N2O3S/c1-13-11-14(9-10-18(24)26-21(2,3)4)22-16(12-13)20-23-19(25)15-7-5-6-8-17(15)27-20/h5-8,11-12H,9-10H2,1-4H3