ethyl 3-oxidanylidene-4-(4,6,7-trimethylquinazolin-2-yl)sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-(4,6,7-trimethylquinazolin-2-yl)sulfanyl-butanoate Openeye Name: ethyl 3-oxo-4-(4,6,7-trimethylquinazolin-2-yl)sulfanyl-butanoate CAS Name: 3-oxo-4-[(4,6,7-trimethyl-2-quinazolinyl)thio]butanoic acid ethyl ester IUPAC Name: ethyl 3-oxo-4-(4,6,7-trimethylquinazolin-2-yl)sulfanylbutanoate Traditional Name: 3-keto-4-[(4,6,7-trimethylquinazolin-2-yl)thio]butyric acid ethyl ester Formula: C17H20N2O3S MolecularWeight: 332.4173

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=CC(=C(C=C2C(=N1)C)C)C

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=CC(=C(C=C2C(=N1)C)C)C

InChI

InChI=1S/C17H20N2O3S/c1-5-22-16(21)8-13(20)9-23-17-18-12(4)14-6-10(2)11(3)7-15(14)19-17/h6-7H,5,8-9H2,1-4H3