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

Systemtic Name: ethyl 5-ethanoyl-4-methyl-2-[3-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-4-methyl-2-[3-(4-nitro-1,3-dioxo-isoindolin-2-yl)propanoylamino]thiophene-3-carboxylate CAS Name: 5-acetyl-4-methyl-2-[[3-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-4-methyl-2-[3-(4-nitro-1,3-dioxoisoindol-2-yl)propanoylamino]thiophene-3-carboxylate Traditional Name: 5-acetyl-2-[3-(1,3-diketo-4-nitro-isoindolin-2-yl)propanoylamino]-4-methyl-thiophene-3-carboxylic acid ethyl ester Formula: C21H19N3O8S MolecularWeight: 473.45586

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O8S/c1-4-32-21(29)15-10(2)17(11(3)25)33-18(15)22-14(26)8-9-23-19(27)12-6-5-7-13(24(30)31)16(12)20(23)28/h5-7H,4,8-9H2,1-3H3,(H,22,26)