methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-3-(2-furylmethyl)-4-oxo-quinazoline-7-carboxylate CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]-3-(2-furanylmethyl)-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-3-(furan-2-ylmethyl)-4-oxoquinazoline-7-carboxylate Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]-3-(2-furfuryl)-4-keto-quinazoline-7-carboxylic acid methyl ester Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN4C=CC=CC4=C3C#N)CC5=CC=CO5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN4C=CC=CC4=C3C#N)CC5=CC=CO5

InChI

InChI=1S/C25H18N4O4S/c1-32-24(31)16-7-8-19-21(11-16)27-25(29(23(19)30)14-18-5-4-10-33-18)34-15-17-13-28-9-3-2-6-22(28)20(17)12-26/h2-11,13H,14-15H2,1H3