ethyl 4-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(6-chloranyl-2-phenyl-quinazolin-4-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(6-chloro-2-phenyl-quinazolin-4-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(6-chloro-2-phenyl-4-quinazolinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(6-chloro-2-phenylquinazolin-4-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(6-chloro-2-phenyl-quinazolin-4-yl)thio]-3-keto-butyric acid ethyl ester Formula: C20H17ClN2O3S MolecularWeight: 400.87858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=NC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H17ClN2O3S/c1-2-26-18(25)11-15(24)12-27-20-16-10-14(21)8-9-17(16)22-19(23-20)13-6-4-3-5-7-13/h3-10H,2,11-12H2,1H3