(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-oxidanylidene-1H-quinoline-4-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-oxo-1H-quinoline-4-carboxylate CAS Name: 2-oxo-1H-quinoline-4-carboxylic 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 2-oxo-1H-quinoline-4-carboxylate Traditional Name: 2-keto-1H-quinoline-4-carboxylic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C17H11N3O4S MolecularWeight: 353.35194

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=O)N2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C17H11N3O4S/c21-14-7-12(11-3-1-2-4-13(11)18-14)17(22)23-8-15-19-16(20-24-15)10-5-6-25-9-10/h1-7,9H,8H2,(H,18,21)