ethyl 3-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-(1-methyl-2-oxidanylidene-quinolin-4-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(1-methyl-2-oxo-4-quinolyl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(1-methyl-2-oxo-4-quinolinyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-(1-methyl-2-oxoquinolin-4-yl)sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[(2-keto-1-methyl-4-quinolyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=CC(=O)N(C3=CC=CC=C32)C

InChI

InChI=1S/C21H20N2O4S/c1-3-27-21(26)14-7-6-8-15(11-14)22-19(24)13-28-18-12-20(25)23(2)17-10-5-4-9-16(17)18/h4-12H,3,13H2,1-2H3,(H,22,24)