3-methyl-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]methylamino]butanoic acid

Systemtic Name: 3-methyl-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]methylamino]butanoic acid Openeye Name: 3-methyl-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]methylamino]butanoic acid CAS Name: 3-methyl-2-[[5-[2-(4-methylphenyl)ethynyl]-2-thiophenyl]methylamino]butanoic acid IUPAC Name: 3-methyl-2-[[5-[2-(4-methylphenyl)ethynyl]thiophen-2-yl]methylamino]butanoic acid Traditional Name: 3-methyl-2-[[5-[2-(p-tolyl)ethynyl]-2-thienyl]methylamino]butyric acid Formula: C19H21NO2S MolecularWeight: 327.44054

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CC2=CC=C(S2)CNC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C#CC2=CC=C(S2)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C19H21NO2S/c1-13(2)18(19(21)22)20-12-17-11-10-16(23-17)9-8-15-6-4-14(3)5-7-15/h4-7,10-11,13,18,20H,12H2,1-3H3,(H,21,22)