diethyl 5-(2-quinazolin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate

Systemtic Name: diethyl 5-(2-quinazolin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: diethyl 5-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-(4-quinazolinylthio)ethyl]amino]benzene-1,3-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(quinazolin-4-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid diethyl ester Formula: C22H21N3O5S MolecularWeight: 439.48424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OCC

InChI

InChI=1S/C22H21N3O5S/c1-3-29-21(27)14-9-15(22(28)30-4-2)11-16(10-14)25-19(26)12-31-20-17-7-5-6-8-18(17)23-13-24-20/h5-11,13H,3-4,12H2,1-2H3,(H,25,26)