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

Systemtic Name: methyl 3-[2-[2-(diethylamino)-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-(diethylamino)-2-oxo-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(diethylamino)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(diethylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-(diethylamino)-2-keto-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC

Isomeric SMILES

CCN(CC)C(=O)C(=O)C1=CC=CN1C2=C(SC3=CC=CC=C32)C(=O)OC

InChI

InChI=1S/C20H20N2O4S/c1-4-21(5-2)19(24)17(23)14-10-8-12-22(14)16-13-9-6-7-11-15(13)27-18(16)20(25)26-3/h6-12H,4-5H2,1-3H3