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

Systemtic Name: 1-[2-(phenylmethylsulfanyl)ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(2-benzylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-2-(phenylmethylthio)ethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(2-benzylsulfanylacetyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-(benzylthio)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H19NO3S MolecularWeight: 341.42406

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CSCC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CSCC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C19H19NO3S/c21-18(13-24-12-14-6-2-1-3-7-14)20-11-5-9-15-16(19(22)23)8-4-10-17(15)20/h1-4,6-8,10H,5,9,11-13H2,(H,22,23)