tert-butyl 1-[3-[6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoyl]pyrrolidine-2-carboxylate

Systemtic Name: tert-butyl 1-[3-[6-(4-oxidanylidene-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoyl]pyrrolidine-2-carboxylate Openeye Name: tert-butyl 1-[3-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridyl]propanoyl]pyrrolidine-2-carboxylate CAS Name: 1-[1-oxo-3-[6-(4-oxo-1,3-benzothiazin-2-yl)-2-pyridinyl]propyl]-2-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[3-[6-(4-oxo-1,3-benzothiazin-2-yl)pyridin-2-yl]propanoyl]pyrrolidine-2-carboxylate Traditional Name: 1-[3-[6-(4-keto-1,3-benzothiazin-2-yl)-2-pyridyl]propanoyl]pyrrolidine-2-carboxylic acid tert-butyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1CCCN1C(=O)CCC2=CC=CC(=N2)C3=NC(=O)C4=CC=CC=C4S3

Isomeric SMILES

CC(C)(C)OC(=O)C1CCCN1C(=O)CCC2=CC=CC(=N2)C3=NC(=O)C4=CC=CC=C4S3

InChI

InChI=1S/C25H27N3O4S/c1-25(2,3)32-24(31)19-11-7-15-28(19)21(29)14-13-16-8-6-10-18(26-16)23-27-22(30)17-9-4-5-12-20(17)33-23/h4-6,8-10,12,19H,7,11,13-15H2,1-3H3