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

Systemtic Name: tert-butyl 3-[6-(7-methyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Openeye Name: tert-butyl 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoate CAS Name: 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[6-(7-methyl-4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoate Traditional Name: 3-[6-(4-keto-7-methyl-1,3-benzothiazin-2-yl)-2-pyridyl]propionic acid tert-butyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=O)N=C(S2)C3=NC(=CC=C3)CCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)C(=O)N=C(S2)C3=NC(=CC=C3)CCC(=O)OC(C)(C)C

InChI

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