2-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-ethylthiophen-2-yl)methylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-ethyl-2-thienyl)methylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-ethyl-2-thiophenyl)methylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-ethylthiophen-2-yl)methylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-ethyl-2-thienyl)methylamino]-3-methyl-butyric acid Formula: C12H19NO2S MolecularWeight: 241.34976

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)CNC(C(C)C)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)CNC(C(C)C)C(=O)O

InChI

InChI=1S/C12H19NO2S/c1-4-9-5-6-10(16-9)7-13-11(8(2)3)12(14)15/h5-6,8,11,13H,4,7H2,1-3H3,(H,14,15)