tert-butyl N-[2-[2-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]ethyl]carbamate

Systemtic Name: tert-butyl N-[2-[2-(7-chloranyl-4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-4-yl]ethyl]carbamate Openeye Name: tert-butyl N-[2-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridyl]ethyl]carbamate CAS Name: N-[2-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)-4-pyridinyl]ethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-[2-(7-chloro-4-oxo-1,3-benzothiazin-2-yl)pyridin-4-yl]ethyl]carbamate Traditional Name: N-[2-[2-(7-chloro-4-keto-1,3-benzothiazin-2-yl)-4-pyridyl]ethyl]carbamic acid tert-butyl ester Formula: C20H20ClN3O3S MolecularWeight: 417.9091

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCC1=CC(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

Isomeric SMILES

CC(C)(C)OC(=O)NCCC1=CC(=NC=C1)C2=NC(=O)C3=C(S2)C=C(C=C3)Cl

InChI

InChI=1S/C20H20ClN3O3S/c1-20(2,3)27-19(26)23-9-7-12-6-8-22-15(10-12)18-24-17(25)14-5-4-13(21)11-16(14)28-18/h4-6,8,10-11H,7,9H2,1-3H3,(H,23,26)