2-[(2-oxidanylidene-1,3-thiazolidin-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[(2-oxidanylidene-1,3-thiazolidin-4-yl)carbonyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-(2-oxothiazolidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[oxo-(2-oxo-4-thiazolidinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-(2-oxo-1,3-thiazolidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-(2-ketothiazolidine-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)C3CSC(=O)N3)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)C3CSC(=O)N3)C(=O)O

InChI

InChI=1S/C14H14N2O4S/c17-12(10-7-21-14(20)15-10)16-6-9-4-2-1-3-8(9)5-11(16)13(18)19/h1-4,10-11H,5-7H2,(H,15,20)(H,18,19)