2-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid

Systemtic Name: 2-[2-(4-methylquinolin-2-yl)sulfanylethanoyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Openeye Name: 2-[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid CAS Name: 2-[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid IUPAC Name: 2-[2-(4-methylquinolin-2-yl)sulfanylacetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Traditional Name: 2-[2-[(4-methyl-2-quinolyl)thio]acetyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)N3CC4=CC=CC=C4CC3C(=O)O

InChI

InChI=1S/C22H20N2O3S/c1-14-10-20(23-18-9-5-4-8-17(14)18)28-13-21(25)24-12-16-7-3-2-6-15(16)11-19(24)22(26)27/h2-10,19H,11-13H2,1H3,(H,26,27)