[(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate

Systemtic Name: [(1S,2R,5S)-5-methyl-2-propan-2-yl-cyclohexyl] 2-(4-oxidanylidene-3-phenyl-quinazolin-2-yl)sulfanylethanoate Openeye Name: [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] 2-(4-oxo-3-phenyl-quinazolin-2-yl)sulfanylacetate CAS Name: 2-[(4-oxo-3-phenyl-2-quinazolinyl)thio]acetic acid [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] ester IUPAC Name: [(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] 2-(4-oxo-3-phenylquinazolin-2-yl)sulfanylacetate Traditional Name: 2-[(4-keto-3-phenyl-quinazolin-2-yl)thio]acetic acid [(1S,2R,5S)-2-isopropyl-5-methyl-cyclohexyl] ester Formula: C26H30N2O3S MolecularWeight: 450.593

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4)C(C)C

InChI

InChI=1S/C26H30N2O3S/c1-17(2)20-14-13-18(3)15-23(20)31-24(29)16-32-26-27-22-12-8-7-11-21(22)25(30)28(26)19-9-5-4-6-10-19/h4-12,17-18,20,23H,13-16H2,1-3H3/t18-,20+,23-/m0/s1