[5-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate

Systemtic Name: [5-[[furan-2-ylmethyl(thiophen-2-ylcarbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate Openeye Name: [5-[[2-furylmethyl(thiophene-2-carbonyl)amino]methyl]-2-methoxy-phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [5-[[2-furanylmethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]-2-methoxyphenyl] ester IUPAC Name: [5-[[furan-2-ylmethyl(thiophene-2-carbonyl)amino]methyl]-2-methoxyphenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [5-[[2-furfuryl(2-thenoyl)amino]methyl]-2-methoxy-phenyl] ester Formula: C20H21NO6S2 MolecularWeight: 435.51384

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CC2=CC=CO2)C(=O)C3=CC=CS3)OC

InChI

InChI=1S/C20H21NO6S2/c1-3-29(23,24)27-18-12-15(8-9-17(18)25-2)13-21(14-16-6-4-10-26-16)20(22)19-7-5-11-28-19/h4-12H,3,13-14H2,1-2H3