3-[1-(4-methylsulfanylphenyl)ethylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-[4-(methylthio)phenyl]ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(4-methylsulfanylphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-[4-(methylthio)phenyl]ethylamino]-3-(2-thienyl)propionic acid Formula: C16H19NO2S2 MolecularWeight: 321.45756

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO2S2/c1-11(12-5-7-13(20-2)8-6-12)17-14(10-16(18)19)15-4-3-9-21-15/h3-9,11,14,17H,10H2,1-2H3,(H,18,19)