methyl 4-[7-(2-methoxyethylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate

Systemtic Name: methyl 4-[7-(2-methoxyethylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxidanylidene-butanoate Openeye Name: methyl 4-[7-(2-methoxyethylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanyl-3-oxo-butanoate CAS Name: 4-[[7-[(2-methoxyethylamino)-oxomethyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]-3-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[7-(2-methoxyethylcarbamoyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanyl-3-oxobutanoate Traditional Name: 3-keto-4-[[4-keto-7-(2-methoxyethylcarbamoyl)-3-phenethyl-quinazolin-2-yl]thio]butyric acid methyl ester Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

Isomeric SMILES

COCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)CC(=O)OC)CCC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O6S/c1-33-13-11-26-23(31)18-8-9-20-21(14-18)27-25(35-16-19(29)15-22(30)34-2)28(24(20)32)12-10-17-6-4-3-5-7-17/h3-9,14H,10-13,15-16H2,1-2H3,(H,26,31)