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

Systemtic Name: cyclohexyl 2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoate Openeye Name: cyclohexyl 2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetate CAS Name: 2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetate Traditional Name: 2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetic acid cyclohexyl ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

C1CCC(CC1)OC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C21H22N2O4S/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/h4-6,9-12,15H,1-3,7-8,13-14H2