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

Systemtic Name: 3-[1-(3-cyanophenyl)ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(3-cyanophenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(3-cyanophenyl)ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(3-cyanophenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(3-cyanophenyl)ethylamino]-3-(2-thienyl)propionic acid Formula: C16H16N2O2S MolecularWeight: 300.37544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N2O2S/c1-11(13-5-2-4-12(8-13)10-17)18-14(9-16(19)20)15-6-3-7-21-15/h2-8,11,14,18H,9H2,1H3,(H,19,20)