(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl]azanium Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl-ethyl-[2-oxo-2-(2-thienylmethylamino)ethyl]ammonium CAS Name: (2-ethoxycarbonyl-3-benzofuranyl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]ammonium IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl-ethyl-[2-oxo-2-(thiophen-2-ylmethylamino)ethyl]azanium Traditional Name: (2-carbethoxybenzofuran-3-yl)methyl-ethyl-[2-keto-2-(2-thenylamino)ethyl]ammonium Formula: C21H25N2O4S+ MolecularWeight: 401.4992

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NCC3=CC=CS3

Isomeric SMILES

CC[NH+](CC1=C(OC2=CC=CC=C21)C(=O)OCC)CC(=O)NCC3=CC=CS3

InChI

InChI=1S/C21H24N2O4S/c1-3-23(14-19(24)22-12-15-8-7-11-28-15)13-17-16-9-5-6-10-18(16)27-20(17)21(25)26-4-2/h5-11H,3-4,12-14H2,1-2H3,(H,22,24)/p+1