methyl 4-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[7-chloranyl-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[7-chloro-3-(2-furylmethyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[7-chloro-3-(2-furanylmethyl)-4-oxo-2-quinazolinyl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[7-chloro-3-(2-furfuryl)-4-keto-quinazolin-2-yl]thio]methyl]benzoic acid methyl ester Formula: C22H17ClN2O4S MolecularWeight: 440.89938

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC3=C(C=CC(=C3)Cl)C(=O)N2CC4=CC=CO4

InChI

InChI=1S/C22H17ClN2O4S/c1-28-21(27)15-6-4-14(5-7-15)13-30-22-24-19-11-16(23)8-9-18(19)20(26)25(22)12-17-3-2-10-29-17/h2-11H,12-13H2,1H3