[2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium

Systemtic Name: [2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-(furan-2-ylmethyl)-methyl-azanium Openeye Name: [2-[(5-allyloxycarbonyl-3-ethoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-(2-furylmethyl)-methyl-ammonium CAS Name: [2-[[3-ethoxycarbonyl-4-methyl-5-[oxo(prop-2-enoxy)methyl]-2-thiophenyl]amino]-2-oxoethyl]-(2-furanylmethyl)-methylammonium IUPAC Name: [2-[(3-ethoxycarbonyl-4-methyl-5-prop-2-enoxycarbonylthiophen-2-yl)amino]-2-oxoethyl]-(furan-2-ylmethyl)-methylazanium Traditional Name: [2-[(5-allyloxycarbonyl-3-carbethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-(2-furfuryl)-methyl-ammonium Formula: C20H25N2O6S+ MolecularWeight: 421.4873

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+](C)CC2=CC=CO2

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OCC=C)NC(=O)C[NH+](C)CC2=CC=CO2

InChI

InChI=1S/C20H24N2O6S/c1-5-9-28-20(25)17-13(3)16(19(24)26-6-2)18(29-17)21-15(23)12-22(4)11-14-8-7-10-27-14/h5,7-8,10H,1,6,9,11-12H2,2-4H3,(H,21,23)/p+1