methyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(4,8-dimethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(4,8-dimethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,8-dimethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(4,8-dimethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(4,8-dimethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20N2O3S/c1-13-5-4-6-17-14(2)11-19(23-20(13)17)27-12-18(24)22-16-9-7-15(8-10-16)21(25)26-3/h4-11H,12H2,1-3H3,(H,22,24)