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

Systemtic Name: 3-[(3,5-dimethyl-4-oxidanyl-phenyl)methylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[(4-hydroxy-3,5-dimethyl-phenyl)methylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[(4-hydroxy-3,5-dimethylphenyl)methylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[(4-hydroxy-3,5-dimethyl-benzyl)amino]-3-(2-thienyl)propionic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1O)C)CNC(CC(=O)O)C2=CC=CS2

Isomeric SMILES

CC1=CC(=CC(=C1O)C)CNC(CC(=O)O)C2=CC=CS2

InChI

InChI=1S/C16H19NO3S/c1-10-6-12(7-11(2)16(10)20)9-17-13(8-15(18)19)14-4-3-5-21-14/h3-7,13,17,20H,8-9H2,1-2H3,(H,18,19)