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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCC1=CC(=C(S1)NC(=O)CCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C20H19N3O7S/c1-3-11-10-13(20(27)30-4-2)17(31-11)21-15(24)8-9-22-18(25)12-6-5-7-14(23(28)29)16(12)19(22)26/h5-7,10H,3-4,8-9H2,1-2H3,(H,21,24)