methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate

Systemtic Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxidanylidene-3-phenethyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-oxo-3-phenethyl-quinazoline-7-carboxylate CAS Name: 2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-oxo-3-phenethyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxo-3-phenethylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-phenethyl-quinazoline-7-carboxylic acid methyl ester Formula: C24H19N3O6S MolecularWeight: 477.48916

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SC=CC3=CC=C(O3)[N+](=O)[O-])CCC4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)S/C=C/C3=CC=C(O3)[N+](=O)[O-])CCC4=CC=CC=C4

InChI

InChI=1S/C24H19N3O6S/c1-32-23(29)17-7-9-19-20(15-17)25-24(34-14-12-18-8-10-21(33-18)27(30)31)26(22(19)28)13-11-16-5-3-2-4-6-16/h2-10,12,14-15H,11,13H2,1H3/b14-12+