methyl 2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(5-methoxycarbonyl-2-furyl)methylsulfanyl]-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[(5-methoxycarbonyl-2-furanyl)methylthio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(5-methoxycarbonylfuran-2-yl)methylsulfanyl]-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 2-[(5-carbomethoxy-2-furyl)methylthio]-4-keto-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C25H22N2O6S MolecularWeight: 478.51698

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(O3)C(=O)OC)CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(O3)C(=O)OC)CCC4=CC=CC=C4

InChI

InChI=1S/C25H22N2O6S/c1-31-23(29)17-8-10-19-20(14-17)26-25(34-15-18-9-11-21(33-18)24(30)32-2)27(22(19)28)13-12-16-6-4-3-5-7-16/h3-11,14H,12-13,15H2,1-2H3