methyl 4-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-(3-ethylquinolin-2-yl)sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[(3-ethyl-2-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(3-ethyl-2-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(3-ethylquinolin-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(3-ethyl-2-quinolyl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H20N2O3S MolecularWeight: 380.4601

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC2=CC=CC=C2N=C1SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

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