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

Systemtic Name: 1-[2-[(4-methylphenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-(p-tolylmethylsulfanyl)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4-methylphenyl)methylthio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[(4-methylphenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4-methylbenzyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C20H21NO3S MolecularWeight: 355.45064

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CSCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O

InChI

InChI=1S/C20H21NO3S/c1-14-7-9-15(10-8-14)12-25-13-19(22)21-11-3-5-16-17(20(23)24)4-2-6-18(16)21/h2,4,6-10H,3,5,11-13H2,1H3,(H,23,24)