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

Systemtic Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoate Openeye Name: [2-(2-thienyl)oxazol-4-yl]methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate CAS Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid (2-thiophen-2-yl-4-oxazolyl)methyl ester IUPAC Name: (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(2-acetyl-1H-isoquinolin-1-yl)acetate Traditional Name: 2-(2-acetyl-1H-isoquinolin-1-yl)acetic acid [2-(2-thienyl)oxazol-4-yl]methyl ester Formula: C21H18N2O4S MolecularWeight: 394.44362

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=COC(=N3)C4=CC=CS4

Isomeric SMILES

CC(=O)N1C=CC2=CC=CC=C2C1CC(=O)OCC3=COC(=N3)C4=CC=CS4

InChI

InChI=1S/C21H18N2O4S/c1-14(24)23-9-8-15-5-2-3-6-17(15)18(23)11-20(25)26-12-16-13-27-21(22-16)19-7-4-10-28-19/h2-10,13,18H,11-12H2,1H3