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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [3-(2-thienyl)-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-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-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-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C18H15N3O4S2 MolecularWeight: 401.4594

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2S1)CCC(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C18H15N3O4S2/c22-16-11-27-13-5-2-1-4-12(13)21(16)8-7-17(23)24-10-15-19-18(20-25-15)14-6-3-9-26-14/h1-6,9H,7-8,10-11H2