6-fluoranyl-2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 6-fluoro-2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 6-fluoro-2-(3-mercapto-1-oxopropyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 6-fluoro-2-(3-sulfanylpropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-2-(3-mercaptopropanoyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C13H14FNO3S MolecularWeight: 283.318563

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=C1C=C(C=C2)F)C(=O)CCS)C(=O)O

Isomeric SMILES

C1C(N(CC2=C1C=C(C=C2)F)C(=O)CCS)C(=O)O

InChI

InChI=1S/C13H14FNO3S/c14-10-2-1-8-7-15(12(16)3-4-19)11(13(17)18)6-9(8)5-10/h1-2,5,11,19H,3-4,6-7H2,(H,17,18)