methyl 3-[2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate

Systemtic Name: methyl 3-[2-[2-oxidanylidene-2-[(4-phenoxyphenyl)amino]ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-oxo-2-(4-phenoxyanilino)acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[1,2-dioxo-2-(4-phenoxyanilino)ethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-oxo-2-(4-phenoxyanilino)acetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-keto-2-(4-phenoxyanilino)acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C28H20N2O5S MolecularWeight: 496.5338

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)NC4=CC=C(C=C4)OC5=CC=CC=C5

InChI

InChI=1S/C28H20N2O5S/c1-34-28(33)26-24(21-10-5-6-12-23(21)36-26)30-17-7-11-22(30)25(31)27(32)29-18-13-15-20(16-14-18)35-19-8-3-2-4-9-19/h2-17H,1H3,(H,29,32)