N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(2R)-2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: 3-keto-N-[(2R)-2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]-4H-1,4-benzothiazine-6-carboxamide Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)[C@H](CNC(=O)C2=CC3=C(C=C2)SCC(=O)N3)N4CCCC4

InChI

InChI=1S/C22H25N3O3S/c1-28-17-6-4-5-15(11-17)19(25-9-2-3-10-25)13-23-22(27)16-7-8-20-18(12-16)24-21(26)14-29-20/h4-8,11-12,19H,2-3,9-10,13-14H2,1H3,(H,23,27)(H,24,26)/t19-/m0/s1