ethyl 3-oxidanylidene-4-(2-phenylquinazolin-4-yl)sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-(2-phenylquinazolin-4-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-(2-phenylquinazolin-4-yl)sulfanyl-butanoate CAS Name: 3-oxo-4-[(2-phenyl-4-quinazolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(2-phenylquinazolin-4-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[(2-phenylquinazolin-4-yl)thio]butyric acid ethyl ester Formula: C20H18N2O3S MolecularWeight: 366.43352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC(=NC2=CC=CC=C21)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O3S/c1-2-25-18(24)12-15(23)13-26-20-16-10-6-7-11-17(16)21-19(22-20)14-8-4-3-5-9-14/h3-11H,2,12-13H2,1H3