4-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid

Systemtic Name: 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid Openeye Name: 4-[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]propanoylamino]benzoic acid CAS Name: 4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxopropyl]amino]benzoic acid IUPAC Name: 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylpropanoylamino]benzoic acid Traditional Name: 4-[2-[(4,8-dimethyl-2-quinolyl)thio]propanoylamino]benzoic acid Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC1=CC=CC2=C1N=C(C=C2C)SC(C)C(=O)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H20N2O3S/c1-12-5-4-6-17-13(2)11-18(23-19(12)17)27-14(3)20(24)22-16-9-7-15(8-10-16)21(25)26/h4-11,14H,1-3H3,(H,22,24)(H,25,26)