methyl 4-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H22N2O4S MolecularWeight: 410.48608

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

InChI

InChI=1S/C22H22N2O4S/c1-27-21(26)16-10-8-15(9-11-16)14-29-22-23-19-7-3-2-6-18(19)20(25)24(22)13-17-5-4-12-28-17/h2-3,6-11,17H,4-5,12-14H2,1H3