tert-butyl 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: tert-butyl 2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: tert-butyl 2-(3-acetylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(3-acetylsulfanyl-2-methylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid tert-butyl ester Formula: C20H27NO4S MolecularWeight: 377.49768

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)(C)C

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC2=CC=CC=C2CC1C(=O)OC(C)(C)C

InChI

InChI=1S/C20H27NO4S/c1-13(12-26-14(2)22)18(23)21-11-16-9-7-6-8-15(16)10-17(21)19(24)25-20(3,4)5/h6-9,13,17H,10-12H2,1-5H3