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

Systemtic Name: methyl 3-[[4-oxidanylidene-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-oxo-3-[[(2R)-2-oxolanyl]methyl]-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-oxo-3-[[(2R)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-keto-3-[[(2R)-tetrahydrofuran-2-yl]methyl]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(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2CC4CCCO4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NC3=CC=CC=C3C(=O)N2C[C@H]4CCCO4

InChI

InChI=1S/C22H22N2O4S/c1-27-21(26)16-7-4-6-15(12-16)14-29-22-23-19-10-3-2-9-18(19)20(25)24(22)13-17-8-5-11-28-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3/t17-/m1/s1