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

Systemtic Name: tert-butyl 3-[2-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Openeye Name: tert-butyl 3-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]propanoate CAS Name: 3-[2-(4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[2-(4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]propanoate Traditional Name: 3-[2-(4-keto-1,3-benzothiazin-2-yl)-4-pyridyl]propionic acid tert-butyl ester Formula: C20H20N2O3S MolecularWeight: 368.4494

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N2O3S/c1-20(2,3)25-17(23)9-8-13-10-11-21-15(12-13)19-22-18(24)14-6-4-5-7-16(14)26-19/h4-7,10-12H,8-9H2,1-3H3