ethyl 3-oxidanylidene-4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanoate

Systemtic Name: ethyl 3-oxidanylidene-4-[4-oxidanylidene-3-(phenylmethyl)quinazolin-2-yl]sulfanyl-butanoate Openeye Name: ethyl 4-(3-benzyl-4-oxo-quinazolin-2-yl)sulfanyl-3-oxo-butanoate CAS Name: 3-oxo-4-[[4-oxo-3-(phenylmethyl)-2-quinazolinyl]thio]butanoic acid ethyl ester IUPAC Name: ethyl 4-(3-benzyl-4-oxoquinazolin-2-yl)sulfanyl-3-oxobutanoate Traditional Name: 4-[(3-benzyl-4-keto-quinazolin-2-yl)thio]-3-keto-butyric acid ethyl ester Formula: C21H20N2O4S MolecularWeight: 396.4595

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CC(=O)CSC1=NC2=CC=CC=C2C(=O)N1CC3=CC=CC=C3

InChI

InChI=1S/C21H20N2O4S/c1-2-27-19(25)12-16(24)14-28-21-22-18-11-7-6-10-17(18)20(26)23(21)13-15-8-4-3-5-9-15/h3-11H,2,12-14H2,1H3