2-[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate

Systemtic Name: 2-[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxidanylidene-ethyl]sulfanylethanoate Openeye Name: 2-[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxo-ethyl]sulfanylacetate CAS Name: 2-[[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]thio]acetate IUPAC Name: 2-[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-oxoethyl]sulfanylacetate Traditional Name: 2-[[2-[(1S)-6,7-dimethoxy-1-phenyl-3,4-dihydro-1H-isoquinolin-2-yl]-2-keto-ethyl]thio]acetate Formula: C21H22NO5S- MolecularWeight: 400.46808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(N(CCC2=C1)C(=O)CSCC(=O)[O-])C3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C2[C@@H](N(CCC2=C1)C(=O)CSCC(=O)[O-])C3=CC=CC=C3)OC

InChI

InChI=1S/C21H23NO5S/c1-26-17-10-15-8-9-22(19(23)12-28-13-20(24)25)21(14-6-4-3-5-7-14)16(15)11-18(17)27-2/h3-7,10-11,21H,8-9,12-13H2,1-2H3,(H,24,25)/p-1/t21-/m0/s1