2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]ethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[1-oxo-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)thio]ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[[5-(4-pyridyl)-1,3,4-oxadiazol-2-yl]thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C19H16N4O4S MolecularWeight: 396.41974

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(CC2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=NC=C4)C(=O)O

Isomeric SMILES

C1C(N(CC2=CC=CC=C21)C(=O)CSC3=NN=C(O3)C4=CC=NC=C4)C(=O)O

InChI

InChI=1S/C19H16N4O4S/c24-16(11-28-19-22-21-17(27-19)12-5-7-20-8-6-12)23-10-14-4-2-1-3-13(14)9-15(23)18(25)26/h1-8,15H,9-11H2,(H,25,26)