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

Systemtic Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]-bis(furan-2-ylmethyl)azanium Openeye Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thienyl)amino]-2-oxo-ethyl]-bis(2-furylmethyl)ammonium CAS Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methyl-2-thiophenyl)amino]-2-oxoethyl]-bis(2-furanylmethyl)ammonium IUPAC Name: [2-[(3-ethoxycarbonyl-5-methoxycarbonyl-4-methylthiophen-2-yl)amino]-2-oxoethyl]-bis(furan-2-ylmethyl)azanium Traditional Name: [2-[(3-carbethoxy-5-carbomethoxy-4-methyl-2-thienyl)amino]-2-keto-ethyl]-bis(2-furfuryl)ammonium Formula: C22H25N2O7S+ MolecularWeight: 461.5081

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1C)C(=O)OC)NC(=O)C[NH+](CC2=CC=CO2)CC3=CC=CO3

InChI

InChI=1S/C22H24N2O7S/c1-4-29-21(26)18-14(2)19(22(27)28-3)32-20(18)23-17(25)13-24(11-15-7-5-9-30-15)12-16-8-6-10-31-16/h5-10H,4,11-13H2,1-3H3,(H,23,25)/p+1