ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]propanoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Openeye Name: ethyl 2-[2-(1,3-dioxoisoindolin-2-yl)propanoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate CAS Name: 2-[[2-(1,3-dioxo-2-isoindolyl)-1-oxopropyl]amino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(1,3-dioxoisoindol-2-yl)propanoylamino]-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylate Traditional Name: 2-(2-phthalimidopropanoylamino)-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophene-3-carboxylic acid ethyl ester Formula: C28H34N2O5S MolecularWeight: 510.64496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCCCCCCCC2)NC(=O)C(C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C28H34N2O5S/c1-3-35-28(34)23-21-16-10-8-6-4-5-7-9-11-17-22(21)36-25(23)29-24(31)18(2)30-26(32)19-14-12-13-15-20(19)27(30)33/h12-15,18H,3-11,16-17H2,1-2H3,(H,29,31)