ethyl 2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[11-[1,3-bis(oxidanylidene)isoindol-2-yl]undecanoylamino]-5-ethanoyl-4-methyl-thiophene-3-carboxylate Openeye Name: ethyl 5-acetyl-2-[11-(1,3-dioxoisoindolin-2-yl)undecanoylamino]-4-methyl-thiophene-3-carboxylate CAS Name: 5-acetyl-2-[[11-(1,3-dioxo-2-isoindolyl)-1-oxoundecyl]amino]-4-methyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-acetyl-2-[11-(1,3-dioxoisoindol-2-yl)undecanoylamino]-4-methylthiophene-3-carboxylate Traditional Name: 5-acetyl-4-methyl-2-(11-phthalimidoundecanoylamino)thiophene-3-carboxylic acid ethyl ester Formula: C29H36N2O6S MolecularWeight: 540.67094

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)C)NC(=O)CCCCCCCCCCN2C(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C29H36N2O6S/c1-4-37-29(36)24-19(2)25(20(3)32)38-26(24)30-23(33)17-11-9-7-5-6-8-10-14-18-31-27(34)21-15-12-13-16-22(21)28(31)35/h12-13,15-16H,4-11,14,17-18H2,1-3H3,(H,30,33)