methyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]benzothiophene-2-carboxylate CAS Name: 3-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-1-benzothiophene-2-carboxylate Traditional Name: 3-[(2-phthalimidoacetyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C20H14N2O5S MolecularWeight: 394.40056

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C20H14N2O5S/c1-27-20(26)17-16(13-8-4-5-9-14(13)28-17)21-15(23)10-22-18(24)11-6-2-3-7-12(11)19(22)25/h2-9H,10H2,1H3,(H,21,23)