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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(NC2=O)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

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