S-(8-chloranyl-2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl) ethanethioate

Systemtic Name: S-(8-chloranyl-2-ethanoyl-3,4-dihydro-1H-isoquinolin-7-yl) ethanethioate Openeye Name: S-(2-acetyl-8-chloro-3,4-dihydro-1H-isoquinolin-7-yl) ethanethioate CAS Name: ethanethioic acid S-(2-acetyl-8-chloro-3,4-dihydro-1H-isoquinolin-7-yl) ester IUPAC Name: S-(2-acetyl-8-chloro-3,4-dihydro-1H-isoquinolin-7-yl) ethanethioate Traditional Name: ethanethioic acid S-(2-acetyl-8-chloro-3,4-dihydro-1H-isoquinolin-7-yl) ester Formula: C13H14ClNO2S MolecularWeight: 283.77376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC2=C(C1)C(=C(C=C2)SC(=O)C)Cl

Isomeric SMILES

CC(=O)N1CCC2=C(C1)C(=C(C=C2)SC(=O)C)Cl

InChI

InChI=1S/C13H14ClNO2S/c1-8(16)15-6-5-10-3-4-12(18-9(2)17)13(14)11(10)7-15/h3-4H,5-7H2,1-2H3