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

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propanoate CAS Name: 3-[3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-[3-(3-thienyl)-1,2,4-oxadiazol-5-yl]propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C17H13N5O4S MolecularWeight: 383.38122

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)CCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H13N5O4S/c23-15(6-5-14-18-16(20-26-14)11-7-8-27-9-11)25-10-22-17(24)12-3-1-2-4-13(12)19-21-22/h1-4,7-9H,5-6,10H2