(3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate CAS Name: 3-(3-oxo-1,4-benzothiazin-4-yl)propanoic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxo-1,4-benzothiazin-4-yl)propanoate Traditional Name: 3-(3-keto-1,4-benzothiazin-4-yl)propionic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C20H17N3O4S/c24-18-13-28-16-9-5-4-8-15(16)23(18)11-10-19(25)26-12-17-21-20(22-27-17)14-6-2-1-3-7-14/h1-9H,10-13H2