4-[[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]methyl]benzoic acid

Systemtic Name: 4-[[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]methyl]benzoic acid Openeye Name: 4-[[[2-[(4-methyl-2-quinolyl)sulfanyl]acetyl]amino]methyl]benzoic acid CAS Name: 4-[[[2-[(4-methyl-2-quinolinyl)thio]-1-oxoethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(4-methylquinolin-2-yl)sulfanylacetyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-[(4-methyl-2-quinolyl)thio]acetyl]amino]methyl]benzoic acid Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC(=NC2=CC=CC=C12)SCC(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H18N2O3S/c1-13-10-19(22-17-5-3-2-4-16(13)17)26-12-18(23)21-11-14-6-8-15(9-7-14)20(24)25/h2-10H,11-12H2,1H3,(H,21,23)(H,24,25)