ethyl 4-(4,7-dimethylquinazolin-2-yl)sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 4-(4,7-dimethylquinazolin-2-yl)sulfanyl-3-oxidanylidene-butanoate Openeye Name: ethyl 4-(4,7-dimethylquinazolin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 4-[(4,7-dimethyl-2-quinazolinyl)thio]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 4-(4,7-dimethylquinazolin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(4,7-dimethylquinazolin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C)C(=N1)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=C(C=CC(=C2)C)C(=N1)C

InChI

InChI=1S/C16H18N2O3S/c1-4-21-15(20)8-12(19)9-22-16-17-11(3)13-6-5-10(2)7-14(13)18-16/h5-7H,4,8-9H2,1-3H3