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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CCSC(=O)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CCSC(=O)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H19NO4S/c22-18(10-11-26-20(25)14-6-2-1-3-7-14)21-13-16-9-5-4-8-15(16)12-17(21)19(23)24/h1-9,17H,10-13H2,(H,23,24)