3-(1-benzofuran-2-ylmethylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(1-benzofuran-2-ylmethylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(benzofuran-2-ylmethylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(2-benzofuranylmethylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(1-benzofuran-2-ylmethylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(benzofuran-2-ylmethylamino)-3-(2-thienyl)propionic acid Formula: C16H15NO3S MolecularWeight: 301.3602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)CNC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)CNC(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H15NO3S/c18-16(19)9-13(15-6-3-7-21-15)17-10-12-8-11-4-1-2-5-14(11)20-12/h1-8,13,17H,9-10H2,(H,18,19)