diethyl 3-methyl-5-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate

Systemtic Name: diethyl 3-methyl-5-[3-(4-oxidanylidenequinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Openeye Name: diethyl 3-methyl-5-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate CAS Name: 3-methyl-5-[[1-oxo-3-(4-oxo-3-quinazolinyl)propyl]amino]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 3-methyl-5-[3-(4-oxoquinazolin-3-yl)propanoylamino]thiophene-2,4-dicarboxylate Traditional Name: 5-[3-(4-ketoquinazolin-3-yl)propanoylamino]-3-methyl-thiophene-2,4-dicarboxylic acid diethyl ester Formula: C22H23N3O6S MolecularWeight: 457.49952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC)NC(=O)CCN2C=NC3=CC=CC=C3C2=O

InChI

InChI=1S/C22H23N3O6S/c1-4-30-21(28)17-13(3)18(22(29)31-5-2)32-19(17)24-16(26)10-11-25-12-23-15-9-7-6-8-14(15)20(25)27/h6-9,12H,4-5,10-11H2,1-3H3,(H,24,26)