ethyl 4-[2-(4-methylquinolin-2-yl)sulfanylethanoylamino]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=C2)C

InChI

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