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

Systemtic Name: methyl 3-[2-[2-(hexylamino)-2-oxidanylidene-ethanoyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Openeye Name: methyl 3-[2-[2-(hexylamino)-2-oxo-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylate CAS Name: 3-[2-[2-(hexylamino)-1,2-dioxoethyl]-1-pyrrolyl]-1-benzothiophene-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[2-[2-(hexylamino)-2-oxoacetyl]pyrrol-1-yl]-1-benzothiophene-2-carboxylate Traditional Name: 3-[2-[2-(hexylamino)-2-keto-acetyl]pyrrol-1-yl]benzothiophene-2-carboxylic acid methyl ester Formula: C22H24N2O4S MolecularWeight: 412.50196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O4S/c1-3-4-5-8-13-23-21(26)19(25)16-11-9-14-24(16)18-15-10-6-7-12-17(15)29-20(18)22(27)28-2/h6-7,9-12,14H,3-5,8,13H2,1-2H3,(H,23,26)