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

Systemtic Name: ethyl 2-[6-[1,3-bis(oxidanylidene)isoindol-2-yl]hexanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[6-(1,3-dioxoisoindolin-2-yl)hexanoylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[6-(1,3-dioxo-2-isoindolyl)-1-oxohexyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[6-(1,3-dioxoisoindol-2-yl)hexanoylamino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 5-methyl-4-phenyl-2-(6-phthalimidohexanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C28H28N2O5S MolecularWeight: 504.59732

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C2=CC=CC=C2)C)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H28N2O5S/c1-3-35-28(34)24-23(19-12-6-4-7-13-19)18(2)36-25(24)29-22(31)16-8-5-11-17-30-26(32)20-14-9-10-15-21(20)27(30)33/h4,6-7,9-10,12-15H,3,5,8,11,16-17H2,1-2H3,(H,29,31)