O-ethyl [(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]sulfanylmethanethioate

Systemtic Name: O-ethyl [(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]sulfanylmethanethioate Openeye Name: O-ethyl [(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]sulfanylmethanethioate CAS Name: [[(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]thio]methanethioic acid O-ethyl ester IUPAC Name: O-ethyl [(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]sulfanylmethanethioate Traditional Name: [[(1R)-2-phenacyl-1,2-dihydroisoquinolin-2-ium-1-yl]thio]methanethioic acid O-ethyl ester Formula: C20H20NO2S2+ MolecularWeight: 370.5083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=S)SC1C2=CC=CC=C2C=C[NH+]1CC(=O)C3=CC=CC=C3

Isomeric SMILES

CCOC(=S)S[C@@H]1C2=CC=CC=C2C=C[NH+]1CC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO2S2/c1-2-23-20(24)25-19-17-11-7-6-8-15(17)12-13-21(19)14-18(22)16-9-4-3-5-10-16/h3-13,19H,2,14H2,1H3/p+1/t19-/m1/s1