methyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 5-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethanoylamino]-3-ethoxy-1-benzothiophene-2-carboxylate Openeye Name: methyl 5-[[2-(1,3-dioxoisoindolin-2-yl)acetyl]amino]-3-ethoxy-benzothiophene-2-carboxylate CAS Name: 5-[[2-(1,3-dioxo-2-isoindolyl)-1-oxoethyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 5-[[2-(1,3-dioxoisoindol-2-yl)acetyl]amino]-3-ethoxy-1-benzothiophene-2-carboxylate Traditional Name: 3-ethoxy-5-[(2-phthalimidoacetyl)amino]benzothiophene-2-carboxylic acid methyl ester Formula: C22H18N2O6S MolecularWeight: 438.45312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC

Isomeric SMILES

CCOC1=C(SC2=C1C=C(C=C2)NC(=O)CN3C(=O)C4=CC=CC=C4C3=O)C(=O)OC

InChI

InChI=1S/C22H18N2O6S/c1-3-30-18-15-10-12(8-9-16(15)31-19(18)22(28)29-2)23-17(25)11-24-20(26)13-6-4-5-7-14(13)21(24)27/h4-10H,3,11H2,1-2H3,(H,23,25)