3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-[2,5-bis(oxidanyl)phenyl]ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(2,5-dihydroxyphenyl)ethylamino]-3-(2-thienyl)propionic acid Formula: C15H17NO4S MolecularWeight: 307.36478

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C(C=CC(=C1)O)O)NC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC(C1=C(C=CC(=C1)O)O)NC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C15H17NO4S/c1-9(11-7-10(17)4-5-13(11)18)16-12(8-15(19)20)14-3-2-6-21-14/h2-7,9,12,16-18H,8H2,1H3,(H,19,20)