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

Systemtic Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxidanylidene-3-phenyl-quinazoline-7-carboxylate Openeye Name: methyl 2-[(E)-2-(5-nitro-2-furyl)vinyl]sulfanyl-4-oxo-3-phenyl-quinazoline-7-carboxylate CAS Name: 2-[[(E)-2-(5-nitro-2-furanyl)ethenyl]thio]-4-oxo-3-phenyl-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]sulfanyl-4-oxo-3-phenylquinazoline-7-carboxylate Traditional Name: 4-keto-2-[[(E)-2-(5-nitro-2-furyl)vinyl]thio]-3-phenyl-quinazoline-7-carboxylic acid methyl ester Formula: C22H15N3O6S MolecularWeight: 449.436

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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-])C4=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-])C4=CC=CC=C4

InChI

InChI=1S/C22H15N3O6S/c1-30-21(27)14-7-9-17-18(13-14)23-22(24(20(17)26)15-5-3-2-4-6-15)32-12-11-16-8-10-19(31-16)25(28)29/h2-13H,1H3/b12-11+