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

Systemtic Name: 1-oxidanylidene-2-(4-oxidanylidenepentanethioyl)-3,4-dihydroisoquinoline-3-carboxylic acid Openeye Name: 1-oxo-2-(4-oxopentanethioyl)-3,4-dihydroisoquinoline-3-carboxylic acid CAS Name: 1-oxo-2-(4-oxo-1-sulfanylidenepentyl)-3,4-dihydroisoquinoline-3-carboxylic acid IUPAC Name: 1-oxo-2-(4-oxopentanethioyl)-3,4-dihydroisoquinoline-3-carboxylic acid Traditional Name: 1-keto-2-(4-ketopentanethioyl)-3,4-dihydroisoquinoline-3-carboxylic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCC(=S)N1C(CC2=CC=CC=C2C1=O)C(=O)O

Isomeric SMILES

CC(=O)CCC(=S)N1C(CC2=CC=CC=C2C1=O)C(=O)O

InChI

InChI=1S/C15H15NO4S/c1-9(17)6-7-13(21)16-12(15(19)20)8-10-4-2-3-5-11(10)14(16)18/h2-5,12H,6-8H2,1H3,(H,19,20)