3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]-1,3-thiazolidine-4-carboxylic acid

Systemtic Name: 3-[(1-oxidanylidene-2H-isoquinolin-3-yl)carbonyl]-1,3-thiazolidine-4-carboxylic acid Openeye Name: 3-(1-oxo-2H-isoquinoline-3-carbonyl)thiazolidine-4-carboxylic acid CAS Name: 3-[oxo-(1-oxo-2H-isoquinolin-3-yl)methyl]-4-thiazolidinecarboxylic acid IUPAC Name: 3-(1-oxo-2H-isoquinoline-3-carbonyl)-1,3-thiazolidine-4-carboxylic acid Traditional Name: 3-(1-keto-2H-isoquinoline-3-carbonyl)thiazolidine-4-carboxylic acid Formula: C14H12N2O4S MolecularWeight: 304.32108

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CS1)C(=O)C2=CC3=CC=CC=C3C(=O)N2)C(=O)O

Isomeric SMILES

C1C(N(CS1)C(=O)C2=CC3=CC=CC=C3C(=O)N2)C(=O)O

InChI

InChI=1S/C14H12N2O4S/c17-12-9-4-2-1-3-8(9)5-10(15-12)13(18)16-7-21-6-11(16)14(19)20/h1-5,11H,6-7H2,(H,15,17)(H,19,20)