ethyl 4-methyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoyl-pentyl-amino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(4-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]-pentyl-amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[2-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]-pentylamino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(4-nitro-1,3-dioxoisoindol-2-yl)acetyl]-pentylamino]-1,3-thiazole-5-carboxylate Traditional Name: 2-[amyl-[2-(1,3-diketo-4-nitro-isoindolin-2-yl)acetyl]amino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C22H24N4O7S MolecularWeight: 488.51356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCN(C1=NC(=C(S1)C(=O)OCC)C)C(=O)CN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O7S/c1-4-6-7-11-24(22-23-13(3)18(34-22)21(30)33-5-2)16(27)12-25-19(28)14-9-8-10-15(26(31)32)17(14)20(25)29/h8-10H,4-7,11-12H2,1-3H3