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

Systemtic Name: methyl 3-[2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[1-oxo-2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]ethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H23N3O5S MolecularWeight: 453.51082

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23N3O5S/c1-30-22(29)15-6-4-7-16(12-15)24-20(27)14-32-23-25-19-10-3-2-9-18(19)21(28)26(23)13-17-8-5-11-31-17/h2-4,6-7,9-10,12,17H,5,8,11,13-14H2,1H3,(H,24,27)