1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate

Systemtic Name: 1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid 1-(4-oxo-1H-quinazolin-2-yl)ethyl ester IUPAC Name: 1-(4-oxo-1H-quinazolin-2-yl)ethyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid 1-(4-keto-1H-quinazolin-2-yl)ethyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C20H20N2O4S/c1-11-10-15(13(3)27-11)17(23)8-9-18(24)26-12(2)19-21-16-7-5-4-6-14(16)20(25)22-19/h4-7,10,12H,8-9H2,1-3H3,(H,21,22,25)