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

Systemtic Name: methyl 3-[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 3-[[2-[2-(2-furyl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate CAS Name: 3-[[2-[[2-(2-furanyl)-4-quinazolinyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[2-(furan-2-yl)quinazolin-4-yl]sulfanylacetyl]amino]benzoate Traditional Name: 3-[[2-[[2-(2-furyl)quinazolin-4-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C22H17N3O4S MolecularWeight: 419.45308

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=NC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C22H17N3O4S/c1-28-22(27)14-6-4-7-15(12-14)23-19(26)13-30-21-16-8-2-3-9-17(16)24-20(25-21)18-10-5-11-29-18/h2-12H,13H2,1H3,(H,23,26)