3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(2,3-dihydrobenzofuran-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(2,3-dihydro-1-benzofuran-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(coumaran-5-ylmethylamino)-3-(2-thienyl)propionic acid Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C1C=C(C=C2)CNC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1COC2=C1C=C(C=C2)CNC(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C16H17NO3S/c18-16(19)9-13(15-2-1-7-21-15)17-10-11-3-4-14-12(8-11)5-6-20-14/h1-4,7-8,13,17H,5-6,9-10H2,(H,18,19)