[2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-dibutyl-azanium

Systemtic Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-thiophen-2-yl]amino]-2-oxidanylidene-ethyl]-dibutyl-azanium Openeye Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thienyl]amino]-2-oxo-ethyl]-dibutyl-ammonium CAS Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methyl-2-thiophenyl]amino]-2-oxoethyl]-dibutylammonium IUPAC Name: [2-[[3,5-bis(ethoxycarbonyl)-4-methylthiophen-2-yl]amino]-2-oxoethyl]-dibutylazanium Traditional Name: dibutyl-[2-[(3,5-dicarbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]ammonium Formula: C21H35N2O5S+ MolecularWeight: 427.578

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[NH+](CCCC)CC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

Isomeric SMILES

CCCC[NH+](CCCC)CC(=O)NC1=C(C(=C(S1)C(=O)OCC)C)C(=O)OCC

InChI

InChI=1S/C21H34N2O5S/c1-6-10-12-23(13-11-7-2)14-16(24)22-19-17(20(25)27-8-3)15(5)18(29-19)21(26)28-9-4/h6-14H2,1-5H3,(H,22,24)/p+1