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

Systemtic Name: 3-[(3-cyanophenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3-cyanophenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3-cyanophenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3-cyanobenzyl)amino]-3-(2-thienyl)propionic acid Formula: C15H14N2O2S MolecularWeight: 286.34886

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O2S/c16-9-11-3-1-4-12(7-11)10-17-13(8-15(18)19)14-5-2-6-20-14/h1-7,13,17H,8,10H2,(H,18,19)