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

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

Systemtic Name:2-(3-ethanoylsulfanyl-2-methyl-propanoyl)-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Openeye Name:2-(3-acetylsulfanyl-2-methyl-propanoyl)-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CAS Name:2-[3-(acetylthio)-2-methyl-1-oxopropyl]-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
IUPAC Name:2-(3-acetylsulfanyl-2-methylpropanoyl)-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Traditional Name:2-[3-(acetylthio)-2-methyl-propanoyl]-1-methyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
Formula: C17H21NO4S
MolecularWeight: 335.41794
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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=CC=CC=C2CC(N1C(=O)C(C)CSC(=O)C)C(=O)O


Isomeric SMILES

CC1C2=CC=CC=C2CC(N1C(=O)C(C)CSC(=O)C)C(=O)O


InChI

InChI=1S/C17H21NO4S/c1-10(9-23-12(3)19)16(20)18-11(2)14-7-5-4-6-13(14)8-15(18)17(21)22/h4-7,10-11,15H,8-9H2,1-3H3,(H,21,22)


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