3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(3,5-dimethylisoxazol-4-yl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(3,5-dimethyl-4-isoxazolyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(3,5-dimethylisoxazol-4-yl)methylamino]-3-(2-thienyl)propionic acid Formula: C13H16N2O3S MolecularWeight: 280.34274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC1=C(C(=NO1)C)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C13H16N2O3S/c1-8-10(9(2)18-15-8)7-14-11(6-13(16)17)12-4-3-5-19-12/h3-5,11,14H,6-7H2,1-2H3,(H,16,17)