dimethyl 5-(2-quinolin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-(2-quinolin-2-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(2-quinolylsulfanyl)acetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[(2-quinolin-2-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(2-quinolylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2O5S/c1-27-20(25)14-9-15(21(26)28-2)11-16(10-14)22-18(24)12-29-19-8-7-13-5-3-4-6-17(13)23-19/h3-11H,12H2,1-2H3,(H,22,24)