3-thiophen-2-yl-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid

Systemtic Name: 3-thiophen-2-yl-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid Openeye Name: 3-(2-thienyl)-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid CAS Name: 3-thiophen-2-yl-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid IUPAC Name: 3-thiophen-2-yl-3-[(2,4,5-trimethylphenyl)methylamino]propanoic acid Traditional Name: 3-(2-thienyl)-3-[(2,4,5-trimethylbenzyl)amino]propionic acid Formula: C17H21NO2S MolecularWeight: 303.41914

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)CNC(CC(=O)O)C2=CC=CS2)C

Isomeric SMILES

CC1=CC(=C(C=C1C)CNC(CC(=O)O)C2=CC=CS2)C

InChI

InChI=1S/C17H21NO2S/c1-11-7-13(3)14(8-12(11)2)10-18-15(9-17(19)20)16-5-4-6-21-16/h4-8,15,18H,9-10H2,1-3H3,(H,19,20)