(5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C26H29FN2O3S MolecularWeight: 468.583463

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)C(C)C

InChI

InChI=1S/C26H29FN2O3S/c1-16(2)20-13-8-17(3)14-23(20)32-24(30)15-33-26-28-22-7-5-4-6-21(22)25(31)29(26)19-11-9-18(27)10-12-19/h4-7,9-12,16-17,20,23H,8,13-15H2,1-3H3