1-(4-phenylsulfanylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid

Systemtic Name: 1-(4-phenylsulfanylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-(4-phenylsulfanylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[1-oxo-4-(phenylthio)butyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-(4-phenylsulfanylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-(phenylthio)butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=CC=C2N(C1)C(=O)CCCSC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1CC2=C(C=CC=C2N(C1)C(=O)CCCSC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H21NO3S/c22-19(12-6-14-25-15-7-2-1-3-8-15)21-13-5-10-16-17(20(23)24)9-4-11-18(16)21/h1-4,7-9,11H,5-6,10,12-14H2,(H,23,24)