2-[[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]ethanoic acid Openeye Name: 2-[6-(2-quinolylmethoxy)tetralin-1-yl]sulfanylacetic acid CAS Name: 2-[[6-(2-quinolinylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]thio]acetic acid IUPAC Name: 2-[[6-(quinolin-2-ylmethoxy)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-(2-quinolylmethoxy)tetralin-1-yl]thio]acetic acid Formula: C22H21NO3S MolecularWeight: 379.47204

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=C(C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

Isomeric SMILES

C1CC(C2=C(C1)C=C(C=C2)OCC3=NC4=CC=CC=C4C=C3)SCC(=O)O

InChI

InChI=1S/C22H21NO3S/c24-22(25)14-27-21-7-3-5-16-12-18(10-11-19(16)21)26-13-17-9-8-15-4-1-2-6-20(15)23-17/h1-2,4,6,8-12,21H,3,5,7,13-14H2,(H,24,25)