2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid

Systemtic Name: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Openeye Name: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid IUPAC Name: 2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Traditional Name: 2-(3-mercaptopropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid Formula: C13H15NO3S MolecularWeight: 265.3281

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCS

Isomeric SMILES

C1CN(C(C2=CC=CC=C21)C(=O)O)C(=O)CCS

InChI

InChI=1S/C13H15NO3S/c15-11(6-8-18)14-7-5-9-3-1-2-4-10(9)12(14)13(16)17/h1-4,12,18H,5-8H2,(H,16,17)