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

Systemtic Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-chlorophenyl)methylthio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4-chlorobenzyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H18ClNO3S MolecularWeight: 375.86912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClNO3S/c20-14-8-6-13(7-9-14)11-25-12-18(22)21-10-2-4-15-16(19(23)24)3-1-5-17(15)21/h1,3,5-9H,2,4,10-12H2,(H,23,24)