methyl 4-oxidanylidene-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylate

Systemtic Name: methyl 4-oxidanylidene-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylate Openeye Name: methyl 4-oxo-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylate CAS Name: 4-oxo-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 4-oxo-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylsulfanyl]quinazoline-7-carboxylate Traditional Name: 4-keto-3-phenethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C27H22N4O4S MolecularWeight: 498.55298

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NN=C(O3)C4=CC=CC=C4)CCC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=NN=C(O3)C4=CC=CC=C4)CCC5=CC=CC=C5

InChI

InChI=1S/C27H22N4O4S/c1-34-26(33)20-12-13-21-22(16-20)28-27(31(25(21)32)15-14-18-8-4-2-5-9-18)36-17-23-29-30-24(35-23)19-10-6-3-7-11-19/h2-13,16H,14-15,17H2,1H3