4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methoxypropyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide

Systemtic Name: 4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]-N-(3-methoxypropyl)-3-oxidanylidene-1,4-benzothiazine-6-carboxamide Openeye Name: 4-[(2-chloro-4-fluoro-phenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide CAS Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide IUPAC Name: 4-[(2-chloro-4-fluorophenyl)methyl]-N-(3-methoxypropyl)-3-oxo-1,4-benzothiazine-6-carboxamide Traditional Name: 4-(2-chloro-4-fluoro-benzyl)-3-keto-N-(3-methoxypropyl)-1,4-benzothiazine-6-carboxamide Formula: C20H20ClFN2O3S MolecularWeight: 422.900803

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Descriptors Computed from Structure

Canonical SMILES:

COCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

COCCCNC(=O)C1=CC2=C(C=C1)SCC(=O)N2CC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C20H20ClFN2O3S/c1-27-8-2-7-23-20(26)13-4-6-18-17(9-13)24(19(25)12-28-18)11-14-3-5-15(22)10-16(14)21/h3-6,9-10H,2,7-8,11-12H2,1H3,(H,23,26)