(2R)-N-[2-(2-pyridin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide

Systemtic Name: (2R)-N-[2-(2-pyridin-2-ylsulfanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Openeye Name: (2R)-N-[2-[2-(2-pyridylsulfanyl)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[2-[1-oxo-2-(2-pyridinylthio)ethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[2-(2-pyridin-2-ylsulfanylacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Traditional Name: (2R)-N-[2-[2-(2-pyridylthio)acetyl]-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=CC=CC=N4)C=C2

Isomeric SMILES

C1C[C@@H](OC1)C(=O)NC2=CC3=C(CCN(C3)C(=O)CSC4=CC=CC=N4)C=C2

InChI

InChI=1S/C21H23N3O3S/c25-20(14-28-19-5-1-2-9-22-19)24-10-8-15-6-7-17(12-16(15)13-24)23-21(26)18-4-3-11-27-18/h1-2,5-7,9,12,18H,3-4,8,10-11,13-14H2,(H,23,26)/t18-/m1/s1