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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[4-[(4-chlorophenyl)thio]-1-oxobutyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[4-(4-chlorophenyl)sulfanylbutanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[4-[(4-chlorophenyl)thio]butanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H20ClNO3S MolecularWeight: 389.8957

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO3S/c21-14-8-10-15(11-9-14)26-13-3-7-19(23)22-12-2-5-16-17(20(24)25)4-1-6-18(16)22/h1,4,6,8-11H,2-3,5,7,12-13H2,(H,24,25)