3-oxidanylidene-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: 3-oxidanylidene-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4H-1,4-benzothiazine-6-carboxamide Openeye Name: 3-oxo-N-(2-phenyl-2-pyrrolidin-1-yl-ethyl)-4H-1,4-benzothiazine-6-carboxamide CAS Name: 3-oxo-N-[2-phenyl-2-(1-pyrrolidinyl)ethyl]-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: 3-oxo-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-(2-phenyl-2-pyrrolidino-ethyl)-4H-1,4-benzothiazine-6-carboxamide Formula: C21H23N3O2S MolecularWeight: 381.49122

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)C4=CC=CC=C4

InChI

InChI=1S/C21H23N3O2S/c25-20-14-27-19-9-8-16(12-17(19)23-20)21(26)22-13-18(24-10-4-5-11-24)15-6-2-1-3-7-15/h1-3,6-9,12,18H,4-5,10-11,13-14H2,(H,22,26)(H,23,25)