(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic 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-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H17N3O4S MolecularWeight: 395.43168

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C20H17N3O4S/c1-13(24)23-8-6-14-4-2-3-5-16(14)17(23)10-19(25)26-11-18-21-20(22-27-18)15-7-9-28-12-15/h2-9,12,17H,10-11H2,1H3