1-oxidanylidene-2-(3-sulfanylpropanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid

Systemtic Name: 1-oxidanylidene-2-(3-sulfanylpropanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 1-oxo-2-(3-sulfanylpropanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 2-(3-mercapto-1-oxopropyl)-1-oxo-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 1-oxo-2-(3-sulfanylpropanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-(3-mercaptopropanoyl)-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C13H13NO4S MolecularWeight: 279.31162

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C(=O)C2=CC=CC=C21)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(C(=O)C2=CC=CC=C21)C(=O)CCS)C(=O)O

InChI

InChI=1S/C13H13NO4S/c15-11(5-6-19)14-10(13(17)18)7-8-3-1-2-4-9(8)12(14)16/h1-4,10,19H,5-7H2,(H,17,18)