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

Systemtic Name: (2R)-N-[2-(2-methylsulfanylpyridin-3-yl)carbonyl-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Openeye Name: (2R)-N-[2-(2-methylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]tetrahydrofuran-2-carboxamide CAS Name: (2R)-N-[2-[[2-(methylthio)-3-pyridinyl]-oxomethyl]-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxolanecarboxamide IUPAC Name: (2R)-N-[2-(2-methylsulfanylpyridine-3-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]oxolane-2-carboxamide Traditional Name: (2R)-N-[2-[2-(methylthio)nicotinoyl]-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:

CSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)C4CCCO4

Isomeric SMILES

CSC1=C(C=CC=N1)C(=O)N2CCC3=C(C2)C=C(C=C3)NC(=O)[C@H]4CCCO4

InChI

InChI=1S/C21H23N3O3S/c1-28-20-17(4-2-9-22-20)21(26)24-10-8-14-6-7-16(12-15(14)13-24)23-19(25)18-5-3-11-27-18/h2,4,6-7,9,12,18H,3,5,8,10-11,13H2,1H3,(H,23,25)/t18-/m1/s1