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

Systemtic Name: [2-methoxy-5-[[2-methoxyethyl(thiophen-2-ylcarbonyl)amino]methyl]phenyl] ethanesulfonate Openeye Name: [2-methoxy-5-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate CAS Name: ethanesulfonic acid [2-methoxy-5-[[2-methoxyethyl-[oxo(thiophen-2-yl)methyl]amino]methyl]phenyl] ester IUPAC Name: [2-methoxy-5-[[2-methoxyethyl(thiophene-2-carbonyl)amino]methyl]phenyl] ethanesulfonate Traditional Name: ethanesulfonic acid [2-methoxy-5-[[2-methoxyethyl(2-thenoyl)amino]methyl]phenyl] ester Formula: C18H23NO6S2 MolecularWeight: 413.50832

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CS2)OC

Isomeric SMILES

CCS(=O)(=O)OC1=C(C=CC(=C1)CN(CCOC)C(=O)C2=CC=CS2)OC

InChI

InChI=1S/C18H23NO6S2/c1-4-27(21,22)25-16-12-14(7-8-15(16)24-3)13-19(9-10-23-2)18(20)17-6-5-11-26-17/h5-8,11-12H,4,9-10,13H2,1-3H3