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

Systemtic Name: 1-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Openeye Name: 1-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid CAS Name: 1-[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid IUPAC Name: 1-[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Traditional Name: 1-[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]-3,4-dihydro-2H-quinoline-5-carboxylic acid Formula: C22H25NO5S MolecularWeight: 415.5026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1CSCC(=O)N2CCCC3=C(C=CC=C32)C(=O)O)OC)OC

InChI

InChI=1S/C22H25NO5S/c1-14-10-19(27-2)20(28-3)11-15(14)12-29-13-21(24)23-9-5-7-16-17(22(25)26)6-4-8-18(16)23/h4,6,8,10-11H,5,7,9,12-13H2,1-3H3,(H,25,26)