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

Systemtic Name: ethyl 2-[6-[4-nitro-1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[6-(4-nitro-1,3-dioxo-isoindolin-2-yl)hexanoylamino]-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[6-(4-nitro-1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-(4-nitro-1,3-dioxoisoindol-2-yl)hexanoylamino]-4-phenylthiophene-3-carboxylate Traditional Name: 2-[6-(1,3-diketo-4-nitro-isoindolin-2-yl)hexanoylamino]-4-phenyl-thiophene-3-carboxylic acid ethyl ester Formula: C27H25N3O7S MolecularWeight: 535.5683

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CCCCCN3C(=O)C4=C(C3=O)C(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O7S/c1-2-37-27(34)23-19(17-10-5-3-6-11-17)16-38-24(23)28-21(31)14-7-4-8-15-29-25(32)18-12-9-13-20(30(35)36)22(18)26(29)33/h3,5-6,9-13,16H,2,4,7-8,14-15H2,1H3,(H,28,31)