ethyl 4-ethyl-5-methyl-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate

Systemtic Name: ethyl 4-ethyl-5-methyl-2-[2-[5-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 4-ethyl-5-methyl-2-[[2-(5-nitro-1,3-dioxo-isoindolin-2-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 4-ethyl-5-methyl-2-[[2-(5-nitro-1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-ethyl-5-methyl-2-[[2-(5-nitro-1,3-dioxoisoindol-2-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[2-(1,3-diketo-5-nitro-isoindolin-2-yl)acetyl]amino]-4-ethyl-5-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C20H19N3O7S MolecularWeight: 445.44576

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

Isomeric SMILES

CCC1=C(SC(=C1C(=O)OCC)NC(=O)CN2C(=O)C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C

InChI

InChI=1S/C20H19N3O7S/c1-4-12-10(3)31-17(16(12)20(27)30-5-2)21-15(24)9-22-18(25)13-7-6-11(23(28)29)8-14(13)19(22)26/h6-8H,4-5,9H2,1-3H3,(H,21,24)