ethyl 2-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 2-[2-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]-4-methyl-pentanoyl]oxyethanoylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 2-[[2-[2-(1,3-dioxoisoindolin-2-yl)-4-methyl-pentanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 2-[[2-[2-(1,3-dioxo-2-isoindolyl)-4-methyl-1-oxopentoxy]-1-oxoethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[[2-[2-(1,3-dioxoisoindol-2-yl)-4-methylpentanoyl]oxyacetyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 2-[[2-(4-methyl-2-phthalimido-pentanoyl)oxyacetyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C27H30N2O7S MolecularWeight: 526.6013

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)COC(=O)C(CC(C)C)N3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C27H30N2O7S/c1-4-35-27(34)22-18-11-7-8-12-20(18)37-23(22)28-21(30)14-36-26(33)19(13-15(2)3)29-24(31)16-9-5-6-10-17(16)25(29)32/h5-6,9-10,15,19H,4,7-8,11-14H2,1-3H3,(H,28,30)