7-chloranyl-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 7-chloranyl-2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(3-acetylsulfanyl-2-methyl-propanoyl)-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[3-(acetylthio)-2-methyl-1-oxopropyl]-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(3-acetylsulfanyl-2-methylpropanoyl)-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[3-(acetylthio)-2-methyl-propanoyl]-7-chloro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C16H18ClNO4S MolecularWeight: 355.83642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CSC(=O)C)C(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)Cl

Isomeric SMILES

CC(CSC(=O)C)C(=O)N1CC2=C(CC1C(=O)O)C=CC(=C2)Cl

InChI

InChI=1S/C16H18ClNO4S/c1-9(8-23-10(2)19)15(20)18-7-12-5-13(17)4-3-11(12)6-14(18)16(21)22/h3-5,9,14H,6-8H2,1-2H3,(H,21,22)