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

Systemtic Name: methyl 3-butyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-butyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-oxo-quinazoline-7-carboxylate CAS Name: 3-butyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-butyl-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-oxoquinazoline-7-carboxylate Traditional Name: 3-butyl-4-keto-2-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methylthio]quinazoline-7-carboxylic acid methyl ester Formula: C23H21N5O6S MolecularWeight: 495.50774

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC3=NN=C(O3)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C23H21N5O6S/c1-3-4-11-27-21(29)17-10-7-15(22(30)33-2)12-18(17)24-23(27)35-13-19-25-26-20(34-19)14-5-8-16(9-6-14)28(31)32/h5-10,12H,3-4,11,13H2,1-2H3