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

Systemtic Name: 2-[(5-ethylthiophen-2-yl)carbonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-3-methyl-butanoic acid CAS Name: 2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-3-methylbutanoic acid IUPAC Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-3-methylbutanoic acid Traditional Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-3-methyl-butyric acid Formula: C12H17NO3S MolecularWeight: 255.33328

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17NO3S/c1-4-8-5-6-9(17-8)11(14)13-10(7(2)3)12(15)16/h5-7,10H,4H2,1-3H3,(H,13,14)(H,15,16)