2-[8-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-thiopyrano[3,2-b]indol-5-yl]ethanoic acid

Systemtic Name: 2-[8-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-thiopyrano[3,2-b]indol-5-yl]ethanoic acid Openeye Name: 2-[8-(2-quinolylmethoxy)-3,4-dihydro-2H-thiopyrano[3,2-b]indol-5-yl]acetic acid CAS Name: 2-[8-(2-quinolinylmethoxy)-3,4-dihydro-2H-thiopyrano[3,2-b]indol-5-yl]acetic acid IUPAC Name: 2-[8-(quinolin-2-ylmethoxy)-3,4-dihydro-2H-thiopyrano[3,2-b]indol-5-yl]acetic acid Traditional Name: 2-[8-(2-quinolylmethoxy)-3,4-dihydro-2H-thiopyran[3,2-b]indol-5-yl]acetic acid Formula: C23H20N2O3S MolecularWeight: 404.4815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C3=C(N2CC(=O)O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SC1

Isomeric SMILES

C1CC2=C(C3=C(N2CC(=O)O)C=CC(=C3)OCC4=NC5=CC=CC=C5C=C4)SC1

InChI

InChI=1S/C23H20N2O3S/c26-22(27)13-25-20-10-9-17(12-18(20)23-21(25)6-3-11-29-23)28-14-16-8-7-15-4-1-2-5-19(15)24-16/h1-2,4-5,7-10,12H,3,6,11,13-14H2,(H,26,27)