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

Systemtic Name: dimethyl 5-(2-quinazolin-4-ylsulfanylethanoylamino)benzene-1,3-dicarboxylate Openeye Name: dimethyl 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 dimethyl ester IUPAC Name: dimethyl 5-[(2-quinazolin-4-ylsulfanylacetyl)amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-(quinazolin-4-ylthio)acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C20H17N3O5S MolecularWeight: 411.43108

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC=NC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H17N3O5S/c1-27-19(25)12-7-13(20(26)28-2)9-14(8-12)23-17(24)10-29-18-15-5-3-4-6-16(15)21-11-22-18/h3-9,11H,10H2,1-2H3,(H,23,24)