N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide

Systemtic Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxidanylidene-4H-1,4-benzothiazine-6-carboxamide Openeye Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide CAS Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-(4-morpholin-4-iumyl)-3-oxo-4H-1,4-benzothiazine-6-carboxamide IUPAC Name: N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-morpholin-4-ium-4-yl-3-oxo-4H-1,4-benzothiazine-6-carboxamide Traditional Name: N-(4-ethoxy-3-methoxy-benzyl)-3-keto-2-morpholin-4-ium-4-yl-4H-1,4-benzothiazine-6-carboxamide Formula: C23H28N3O5S+ MolecularWeight: 458.55052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CNC(=O)C2=CC3=C(C=C2)SC(C(=O)N3)[NH+]4CCOCC4)OC

InChI

InChI=1S/C23H27N3O5S/c1-3-31-18-6-4-15(12-19(18)29-2)14-24-21(27)16-5-7-20-17(13-16)25-22(28)23(32-20)26-8-10-30-11-9-26/h4-7,12-13,23H,3,8-11,14H2,1-2H3,(H,24,27)(H,25,28)/p+1