cyclohexyl 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoate

Systemtic Name: cyclohexyl 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetic acid cyclohexyl ester Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C21H26N2O4S/c24-19(27-15-7-2-1-3-8-15)14-28-21-22-18-11-5-4-10-17(18)20(25)23(21)13-16-9-6-12-26-16/h4-5,10-11,15-16H,1-3,6-9,12-14H2