tert-butyl 6-oxidanylidene-6-(4-oxidanylidene-2-pyridin-2-yl-1,3-benzothiazin-6-yl)hexanoate

Systemtic Name: tert-butyl 6-oxidanylidene-6-(4-oxidanylidene-2-pyridin-2-yl-1,3-benzothiazin-6-yl)hexanoate Openeye Name: tert-butyl 6-oxo-6-[4-oxo-2-(2-pyridyl)-1,3-benzothiazin-6-yl]hexanoate CAS Name: 6-oxo-6-[4-oxo-2-(2-pyridinyl)-1,3-benzothiazin-6-yl]hexanoic acid tert-butyl ester IUPAC Name: tert-butyl 6-oxo-6-(4-oxo-2-pyridin-2-yl-1,3-benzothiazin-6-yl)hexanoate Traditional Name: 6-keto-6-[4-keto-2-(2-pyridyl)-1,3-benzothiazin-6-yl]hexanoic acid tert-butyl ester Formula: C23H24N2O4S MolecularWeight: 424.51266

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCCCC(=O)C1=CC2=C(C=C1)SC(=NC2=O)C3=CC=CC=N3

Isomeric SMILES

CC(C)(C)OC(=O)CCCCC(=O)C1=CC2=C(C=C1)SC(=NC2=O)C3=CC=CC=N3

InChI

InChI=1S/C23H24N2O4S/c1-23(2,3)29-20(27)10-5-4-9-18(26)15-11-12-19-16(14-15)21(28)25-22(30-19)17-8-6-7-13-24-17/h6-8,11-14H,4-5,9-10H2,1-3H3