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

Systemtic Name: (8-methyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoate Openeye Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoate CAS Name: 4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanoic acid (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (8-methyl-4-oxo-1H-quinazolin-2-yl)methyl 4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoate Traditional Name: 4-(2,5-dimethyl-3-thienyl)-4-keto-butyric acid (4-keto-8-methyl-1H-quinazolin-2-yl)methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCC(=O)C3=C(SC(=C3)C)C

Isomeric SMILES

CC1=CC=CC2=C1NC(=NC2=O)COC(=O)CCC(=O)C3=C(SC(=C3)C)C

InChI

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