methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanoyl]oxymethyl]-4-oxidanylidene-1H-quinazoline-7-carboxylate Openeye Name: methyl 2-[[4-(2,5-dimethyl-3-thienyl)-4-oxo-butanoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate CAS Name: 2-[[4-(2,5-dimethyl-3-thiophenyl)-1,4-dioxobutoxy]methyl]-4-oxo-1H-quinazoline-7-carboxylic acid methyl ester IUPAC Name: methyl 2-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]oxymethyl]-4-oxo-1H-quinazoline-7-carboxylate Traditional Name: 2-[[4-(2,5-dimethyl-3-thienyl)-4-keto-butanoyl]oxymethyl]-4-keto-1H-quinazoline-7-carboxylic acid methyl ester Formula: C21H20N2O6S MolecularWeight: 428.4583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20N2O6S/c1-11-8-15(12(2)30-11)17(24)6-7-19(25)29-10-18-22-16-9-13(21(27)28-3)4-5-14(16)20(26)23-18/h4-5,8-9H,6-7,10H2,1-3H3,(H,22,23,26)