dimethyl 2-(2-quinolin-2-ylsulfanylethanoylamino)benzene-1,4-dicarboxylate

Systemtic Name: dimethyl 2-(2-quinolin-2-ylsulfanylethanoylamino)benzene-1,4-dicarboxylate Openeye Name: dimethyl 2-[[2-(2-quinolylsulfanyl)acetyl]amino]benzene-1,4-dicarboxylate CAS Name: 2-[[1-oxo-2-(2-quinolinylthio)ethyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 2-[(2-quinolin-2-ylsulfanylacetyl)amino]benzene-1,4-dicarboxylate Traditional Name: 2-[[2-(2-quinolylthio)acetyl]amino]benzene-1,4-dicarboxylic acid dimethyl ester Formula: C21H18N2O5S MolecularWeight: 410.44302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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