3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]-3-thiophen-2-yl-propanoic acid

Systemtic Name: 3-[1-(4-methyl-2-oxidanyl-phenyl)ethylamino]-3-thiophen-2-yl-propanoic acid Openeye Name: 3-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]-3-(2-thienyl)propanoic acid CAS Name: 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid IUPAC Name: 3-[1-(2-hydroxy-4-methylphenyl)ethylamino]-3-thiophen-2-ylpropanoic acid Traditional Name: 3-[1-(2-hydroxy-4-methyl-phenyl)ethylamino]-3-(2-thienyl)propionic acid Formula: C16H19NO3S MolecularWeight: 305.39196

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)NC(CC(=O)O)C2=CC=CS2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)NC(CC(=O)O)C2=CC=CS2)O

InChI

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