tert-butyl 2-(4-oxidanylidene-1,3-benzothiazin-2-yl)-2-pyridin-4-yl-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-(4-oxidanylidene-1,3-benzothiazin-2-yl)-2-pyridin-4-yl-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-(4-oxo-1,3-benzothiazin-2-yl)-2-(4-pyridyl)pyrrolidine-1-carboxylate CAS Name: 2-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridin-4-yl-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridin-4-ylpyrrolidine-1-carboxylate Traditional Name: 2-(4-keto-1,3-benzothiazin-2-yl)-2-(4-pyridyl)pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCC1(C2=CC=NC=C2)C3=NC(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCC1(C2=CC=NC=C2)C3=NC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C22H23N3O3S/c1-21(2,3)28-20(27)25-14-6-11-22(25,15-9-12-23-13-10-15)19-24-18(26)16-7-4-5-8-17(16)29-19/h4-5,7-10,12-13H,6,11,14H2,1-3H3