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

Systemtic Name: methyl 3-[2-(2-morpholin-4-yl-2-oxidanylidene-ethanoyl)pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-(2-morpholino-2-oxo-acetyl)pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(4-morpholinyl)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-(2-morpholin-4-yl-2-oxoacetyl)pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-(2-keto-2-morpholino-acetyl)pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C20H18N2O5S MolecularWeight: 398.43232

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)N4CCOCC4

Isomeric SMILES

COC(=O)C1=C(C2=CC=CC=C2S1)N3C=CC=C3C(=O)C(=O)N4CCOCC4

InChI

InChI=1S/C20H18N2O5S/c1-26-20(25)18-16(13-5-2-3-7-15(13)28-18)22-8-4-6-14(22)17(23)19(24)21-9-11-27-12-10-21/h2-8H,9-12H2,1H3