1-thiomorpholin-4-ylisoquinoline-3-carboxylic acid

Systemtic Name: 1-thiomorpholin-4-ylisoquinoline-3-carboxylic acid Openeye Name: 1-thiomorpholinoisoquinoline-3-carboxylic acid CAS Name: 1-thiomorpholin-4-yl-3-isoquinolinecarboxylic acid IUPAC Name: 1-thiomorpholin-4-ylisoquinoline-3-carboxylic acid Traditional Name: 1-thiomorpholinoisoquinoline-3-carboxylic acid Formula: C14H14N2O2S MolecularWeight: 274.33816

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCCN1C2=NC(=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

C1CSCCN1C2=NC(=CC3=CC=CC=C32)C(=O)O

InChI

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