diethyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylpropanedioate

Systemtic Name: diethyl 2-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanylpropanedioate Openeye Name: diethyl 2-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanylpropanedioate CAS Name: 2-[(6-chloro-2-phenyl-4-quinazolinyl)thio]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(6-chloro-2-phenylquinazolin-4-yl)sulfanylpropanedioate Traditional Name: 2-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]malonic acid diethyl ester Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)SC1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)SC1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C21H19ClN2O4S/c1-3-27-20(25)17(21(26)28-4-2)29-19-15-12-14(22)10-11-16(15)23-18(24-19)13-8-6-5-7-9-13/h5-12,17H,3-4H2,1-2H3