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

Systemtic Name: 1-[2-[(3-bromophenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-[(3-bromophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(3-bromophenyl)methylthio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[(3-bromophenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(3-bromobenzyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C19H18BrNO3S MolecularWeight: 420.32012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrNO3S/c20-14-5-1-4-13(10-14)11-25-12-18(22)21-9-3-7-15-16(19(23)24)6-2-8-17(15)21/h1-2,4-6,8,10H,3,7,9,11-12H2,(H,23,24)