3-[5-[[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]furan-2-yl]thiophene-2-carboxylic acid

Systemtic Name: 3-[5-[[methyl-(2-oxidanyl-2-phenyl-ethyl)amino]methyl]furan-2-yl]thiophene-2-carboxylic acid Openeye Name: 3-[5-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-2-furyl]thiophene-2-carboxylic acid CAS Name: 3-[5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]-2-furanyl]-2-thiophenecarboxylic acid IUPAC Name: 3-[5-[[(2-hydroxy-2-phenylethyl)-methylamino]methyl]furan-2-yl]thiophene-2-carboxylic acid Traditional Name: 3-[5-[[(2-hydroxy-2-phenyl-ethyl)-methyl-amino]methyl]-2-furyl]-2-thenoic acid Formula: C19H19NO4S MolecularWeight: 357.42346

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=C(O1)C2=C(SC=C2)C(=O)O)CC(C3=CC=CC=C3)O

Isomeric SMILES

CN(CC1=CC=C(O1)C2=C(SC=C2)C(=O)O)CC(C3=CC=CC=C3)O

InChI

InChI=1S/C19H19NO4S/c1-20(12-16(21)13-5-3-2-4-6-13)11-14-7-8-17(24-14)15-9-10-25-18(15)19(22)23/h2-10,16,21H,11-12H2,1H3,(H,22,23)