ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxidanylidene-3-pentyl-quinazolin-2-yl]sulfanylethanoate Openeye Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-3-pentyl-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[7-[[2-(1-cyclohexenyl)ethylamino]-oxomethyl]-4-oxo-3-pentyl-2-quinazolinyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-oxo-3-pentylquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-amyl-7-[2-(cyclohexen-1-yl)ethylcarbamoyl]-4-keto-quinazolin-2-yl]thio]acetic acid ethyl ester Formula: C26H35N3O4S MolecularWeight: 485.6388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)OCC

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCCC3=CCCCC3)N=C1SCC(=O)OCC

InChI

InChI=1S/C26H35N3O4S/c1-3-5-9-16-29-25(32)21-13-12-20(24(31)27-15-14-19-10-7-6-8-11-19)17-22(21)28-26(29)34-18-23(30)33-4-2/h10,12-13,17H,3-9,11,14-16,18H2,1-2H3,(H,27,31)