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

Systemtic Name: ethyl 2-[3-cyclohexyl-7-(diethylcarbamoyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[3-cyclohexyl-7-(diethylcarbamoyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-cyclohexyl-7-[diethylamino(oxo)methyl]-4-oxo-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-cyclohexyl-7-(diethylcarbamoyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-cyclohexyl-7-(diethylcarbamoyl)-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C23H31N3O4S MolecularWeight: 445.57494

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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)C3CCCCC3

Isomeric SMILES

CCN(CC)C(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC(=O)OCC)C3CCCCC3

InChI

InChI=1S/C23H31N3O4S/c1-4-25(5-2)21(28)16-12-13-18-19(14-16)24-23(31-15-20(27)30-6-3)26(22(18)29)17-10-8-7-9-11-17/h12-14,17H,4-11,15H2,1-3H3