5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-carboxylic acid

Systemtic Name: 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-carboxylic acid Openeye Name: 5-[[methyl(3-thienylmethyl)amino]methyl]furan-2-carboxylic acid CAS Name: 5-[[methyl(3-thiophenylmethyl)amino]methyl]-2-furancarboxylic acid IUPAC Name: 5-[[methyl(thiophen-3-ylmethyl)amino]methyl]furan-2-carboxylic acid Traditional Name: 5-[[methyl(3-thenyl)amino]methyl]-2-furoic acid Formula: C12H13NO3S MolecularWeight: 251.30152

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)CC2=CC=C(O2)C(=O)O

Isomeric SMILES

CN(CC1=CSC=C1)CC2=CC=C(O2)C(=O)O

InChI

InChI=1S/C12H13NO3S/c1-13(6-9-4-5-17-8-9)7-10-2-3-11(16-10)12(14)15/h2-5,8H,6-7H2,1H3,(H,14,15)