N-(4-methoxy-2-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-ethanamide Openeye Name: N-(4-methoxy-2-nitro-phenyl)-2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-acetamide CAS Name: N-(4-methoxy-2-nitrophenyl)-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]acetamide IUPAC Name: N-(4-methoxy-2-nitrophenyl)-2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-(4-methoxy-2-nitro-phenyl)acetamide Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-31-14-8-9-18(19(11-14)26(29)30)23-20(27)13-33-22-24-17-7-3-2-6-16(17)21(28)25(22)12-15-5-4-10-32-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3,(H,23,27)