ethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-hexanoyl]amino]-5-phenyl-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-5-methyl-hexanoyl]amino]-5-phenyl-thiophene-3-carboxylate Openeye Name: ethyl 2-[[2-(1,3-dioxoisoindolin-2-yl)-5-methyl-hexanoyl]amino]-5-phenyl-thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-5-methyl-1-oxohexyl]amino]-5-phenyl-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-(1,3-dioxoisoindol-2-yl)-5-methylhexanoyl]amino]-5-phenylthiophene-3-carboxylate Traditional Name: 2-[(5-methyl-2-phthalimido-hexanoyl)amino]-5-phenyl-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(=C1)C2=CC=CC=C2)NC(=O)C(CCC(C)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)C2=CC=CC=C2)NC(=O)C(CCC(C)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H28N2O5S/c1-4-35-28(34)21-16-23(18-10-6-5-7-11-18)36-25(21)29-24(31)22(15-14-17(2)3)30-26(32)19-12-8-9-13-20(19)27(30)33/h5-13,16-17,22H,4,14-15H2,1-3H3,(H,29,31)