methyl 3-(2-methylpropyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate

Systemtic Name: methyl 3-(2-methylpropyl)-2-[2-[(2-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-4-oxidanylidene-quinazoline-7-carboxylate Openeye Name: methyl 3-isobutyl-2-[2-(2-nitroanilino)-2-oxo-ethyl]sulfanyl-4-oxo-quinazoline-7-carboxylate CAS Name: 3-(2-methylpropyl)-2-[[2-(2-nitroanilino)-2-oxoethyl]thio]-4-oxo-7-quinazolinecarboxylic acid methyl ester IUPAC Name: methyl 3-(2-methylpropyl)-2-[2-(2-nitroanilino)-2-oxoethyl]sulfanyl-4-oxoquinazoline-7-carboxylate Traditional Name: 3-isobutyl-4-keto-2-[[2-keto-2-(2-nitroanilino)ethyl]thio]quinazoline-7-carboxylic acid methyl ester Formula: C22H22N4O6S MolecularWeight: 470.49828

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(C)CN1C(=O)C2=C(C=C(C=C2)C(=O)OC)N=C1SCC(=O)NC3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O6S/c1-13(2)11-25-20(28)15-9-8-14(21(29)32-3)10-17(15)24-22(25)33-12-19(27)23-16-6-4-5-7-18(16)26(30)31/h4-10,13H,11-12H2,1-3H3,(H,23,27)