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

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethylamino)-3-thiophen-2-yl-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-ylmethylamino)-3-(2-thienyl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-ylmethylamino)-3-thiophen-2-ylpropanoic acid Traditional Name: 3-(piperonylamino)-3-(2-thienyl)propionic acid Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(CC(=O)O)C3=CC=CS3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(CC(=O)O)C3=CC=CS3

InChI

InChI=1S/C15H15NO4S/c17-15(18)7-11(14-2-1-5-21-14)16-8-10-3-4-12-13(6-10)20-9-19-12/h1-6,11,16H,7-9H2,(H,17,18)