ethyl 2-[7-(diethylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-(diethylcarbamoyl)-4-oxidanylidene-3-phenethyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-(diethylcarbamoyl)-4-oxo-3-phenethyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[diethylamino(oxo)methyl]-4-oxo-3-phenethyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-(diethylcarbamoyl)-4-oxo-3-phenethylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[7-(diethylcarbamoyl)-4-keto-3-phenethyl-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C25H29N3O4S MolecularWeight: 467.58046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)OCC)CCC3=CC=CC=C3

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)OCC)CCC3=CC=CC=C3

InChI

InChI=1S/C25H29N3O4S/c1-4-27(5-2)23(30)19-12-13-20-21(16-19)26-25(33-17-22(29)32-6-3)28(24(20)31)15-14-18-10-8-7-9-11-18/h7-13,16H,4-6,14-15,17H2,1-3H3