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

Systemtic Name: methyl 4-[2-[3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C23H19N3O5S MolecularWeight: 449.47906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC3=CC=CC=C3C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C23H19N3O5S/c1-30-22(29)15-8-10-16(11-9-15)24-20(27)14-32-23-25-19-7-3-2-6-18(19)21(28)26(23)13-17-5-4-12-31-17/h2-12H,13-14H2,1H3,(H,24,27)