methyl 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C23H17ClN2O6S MolecularWeight: 484.90888

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC4=C(C(=C3)Cl)OCO4)CC5=CC=CO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC4=C(C(=C3)Cl)OCO4)CC5=CC=CO5

InChI

InChI=1S/C23H17ClN2O6S/c1-29-22(28)14-4-5-16-18(9-14)25-23(26(21(16)27)10-15-3-2-6-30-15)33-11-13-7-17(24)20-19(8-13)31-12-32-20/h2-9H,10-12H2,1H3