N-[[3-[2-(2-oxidanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide

Systemtic Name: N-[[3-[2-(2-oxidanylethanoyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxidanylidene-1,3-oxazolidin-5-yl]methyl]ethanethioamide Openeye Name: N-[[3-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxo-oxazolidin-5-yl]methyl]thioacetamide CAS Name: N-[[3-[2-(2-hydroxy-1-oxoethyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxo-5-oxazolidinyl]methyl]ethanethioamide IUPAC Name: N-[[3-[2-(2-hydroxyacetyl)-3,4-dihydro-1H-isoquinolin-7-yl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide Traditional Name: N-[[3-(2-glycoloyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-keto-oxazolidin-5-yl]methyl]thioacetamide Formula: C17H21N3O4S MolecularWeight: 363.43134

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Descriptors Computed from Structure

Canonical SMILES:

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CCN(C3)C(=O)CO)C=C2

Isomeric SMILES

CC(=S)NCC1CN(C(=O)O1)C2=CC3=C(CCN(C3)C(=O)CO)C=C2

InChI

InChI=1S/C17H21N3O4S/c1-11(25)18-7-15-9-20(17(23)24-15)14-3-2-12-4-5-19(16(22)10-21)8-13(12)6-14/h2-3,6,15,21H,4-5,7-10H2,1H3,(H,18,25)