dimethyl 5-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[2-(4-oxidanylidene-3-prop-2-enyl-quinazolin-2-yl)sulfanylethanoylamino]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[[2-(3-allyl-4-oxo-quinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate CAS Name: 5-[[1-oxo-2-[(4-oxo-3-prop-2-enyl-2-quinazolinyl)thio]ethyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[[2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylacetyl]amino]benzene-1,3-dicarboxylate Traditional Name: 5-[[2-[(3-allyl-4-keto-quinazolin-2-yl)thio]acetyl]amino]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H21N3O6S MolecularWeight: 467.49434

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC=C)C(=O)OC

InChI

InChI=1S/C23H21N3O6S/c1-4-9-26-20(28)17-7-5-6-8-18(17)25-23(26)33-13-19(27)24-16-11-14(21(29)31-2)10-15(12-16)22(30)32-3/h4-8,10-12H,1,9,13H2,2-3H3,(H,24,27)