2-thiomorpholin-4-ylquinoline-4-carboxylic acid

Systemtic Name: 2-thiomorpholin-4-ylquinoline-4-carboxylic acid Openeye Name: 2-thiomorpholinoquinoline-4-carboxylic acid CAS Name: 2-thiomorpholin-4-yl-4-quinolinecarboxylic acid IUPAC Name: 2-thiomorpholin-4-ylquinoline-4-carboxylic acid Traditional Name: 2-thiomorpholinocinchoninic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O

Isomeric SMILES

C1CSCCN1C2=NC3=CC=CC=C3C(=C2)C(=O)O

InChI

InChI=1S/C14H14N2O2S/c17-14(18)11-9-13(16-5-7-19-8-6-16)15-12-4-2-1-3-10(11)12/h1-4,9H,5-8H2,(H,17,18)