ethyl 4-cyano-3-methyl-5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-3-methyl-5-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-3-methyl-5-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]thiophene-2-carboxylate CAS Name: 4-cyano-3-methyl-5-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-3-methyl-5-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]thiophene-2-carboxylate Traditional Name: 4-cyano-5-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C23H22N4O7S MolecularWeight: 498.50838

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)NC(=O)CCCCCN2C(=O)C3=C(C2=O)C(=CC=C3)[N+](=O)[O-])C#N)C

InChI

InChI=1S/C23H22N4O7S/c1-3-34-23(31)19-13(2)15(12-24)20(35-19)25-17(28)10-5-4-6-11-26-21(29)14-8-7-9-16(27(32)33)18(14)22(26)30/h7-9H,3-6,10-11H2,1-2H3,(H,25,28)