1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-indan-5-ylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-(2,3-dihydro-1H-inden-5-ylthio)-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-(2,3-dihydro-1H-inden-5-ylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(indan-5-ylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C21H21NO3S MolecularWeight: 367.46134

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCCC4=C(C=CC=C43)C(=O)O

Isomeric SMILES

C1CC2=C(C1)C=C(C=C2)SCC(=O)N3CCCC4=C(C=CC=C43)C(=O)O

InChI

InChI=1S/C21H21NO3S/c23-20(13-26-16-10-9-14-4-1-5-15(14)12-16)22-11-3-7-17-18(21(24)25)6-2-8-19(17)22/h2,6,8-10,12H,1,3-5,7,11,13H2,(H,24,25)