3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[[methyl(2-thienylmethyl)amino]methyl]benzofuran-2-carboxylic acid CAS Name: 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[[methyl(thiophen-2-ylmethyl)amino]methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[[methyl(2-thenyl)amino]methyl]coumarilic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CS1)CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CN(CC1=CC=CS1)CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H15NO3S/c1-17(9-11-5-4-8-21-11)10-13-12-6-2-3-7-14(12)20-15(13)16(18)19/h2-8H,9-10H2,1H3,(H,18,19)