2-[2-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-[2-(phenylcarbonylsulfanyl)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-(2-benzoylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-[2-(benzoylthio)-1-oxopropyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-(2-benzoylsulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-[2-(benzoylthio)propanoyl]-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C20H19NO4S MolecularWeight: 369.43416

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)O)SC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)N1CCC2=CC=CC=C2C1C(=O)O)SC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19NO4S/c1-13(26-20(25)15-8-3-2-4-9-15)18(22)21-12-11-14-7-5-6-10-16(14)17(21)19(23)24/h2-10,13,17H,11-12H2,1H3,(H,23,24)