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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-(3-oxidanylidene-1,4-benzothiazin-4-yl)propanoate Openeye Name: [3-(3-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-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-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-(3-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=CSC=C4

Isomeric SMILES

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

InChI

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