3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione

Systemtic Name: 3-[2-(2-ethanoyl-1H-isoquinolin-1-yl)ethanoyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Openeye Name: 3-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-5-(2-methylsulfanylpropyl)tetrahydrofuran-2,4-dione CAS Name: 3-[2-(2-acetyl-1H-isoquinolin-1-yl)-1-oxoethyl]-5-[2-(methylthio)propyl]oxolane-2,4-dione IUPAC Name: 3-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-5-(2-methylsulfanylpropyl)oxolane-2,4-dione Traditional Name: 3-[2-(2-acetyl-1H-isoquinolin-1-yl)acetyl]-5-[2-(methylthio)propyl]tetrahydrofuran-2,4-quinone Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1C(=O)C(C(=O)O1)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)SC

Isomeric SMILES

CC(CC1C(=O)C(C(=O)O1)C(=O)CC2C3=CC=CC=C3C=CN2C(=O)C)SC

InChI

InChI=1S/C21H23NO5S/c1-12(28-3)10-18-20(25)19(21(26)27-18)17(24)11-16-15-7-5-4-6-14(15)8-9-22(16)13(2)23/h4-9,12,16,18-19H,10-11H2,1-3H3