dimethyl 5-azanyl-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[3-(3-methyl-4-oxidanylidene-quinazolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[3-(3-methyl-4-oxo-quinazolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[3-(3-methyl-4-oxo-2-quinazolinyl)-1-oxopropoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[3-(3-methyl-4-oxoquinazolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[3-(4-keto-3-methyl-quinazolin-2-yl)propanoyloxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C21H21N3O7S MolecularWeight: 459.47234

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

CN1C(=NC2=CC=CC=C2C1=O)CCC(=O)OCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C21H21N3O7S/c1-24-14(23-13-7-5-4-6-11(13)19(24)26)8-9-15(25)31-10-12-16(20(27)29-2)18(22)32-17(12)21(28)30-3/h4-7H,8-10,22H2,1-3H3