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

Systemtic Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[(1-cyano-2-indolizinyl)methylthio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(1-cyanoindolizin-2-yl)methylsulfanyl]-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 2-[(1-cyanoindolizin-2-yl)methylthio]-4-keto-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C26H18N4O3S MolecularWeight: 466.51112

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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)C5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CN4C=CC=CC4=C3C#N)C5=CC=CC=C5

InChI

InChI=1S/C26H18N4O3S/c1-33-25(32)17-10-11-20-22(13-17)28-26(30(24(20)31)19-7-3-2-4-8-19)34-16-18-15-29-12-6-5-9-23(29)21(18)14-27/h2-13,15H,16H2,1H3