2-[(5-ethylthiophen-2-yl)carbonylamino]-4-methyl-pentanoic acid

Systemtic Name: 2-[(5-ethylthiophen-2-yl)carbonylamino]-4-methyl-pentanoic acid Openeye Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-pentanoic acid CAS Name: 2-[[(5-ethyl-2-thiophenyl)-oxomethyl]amino]-4-methylpentanoic acid IUPAC Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methylpentanoic acid Traditional Name: 2-[(5-ethylthiophene-2-carbonyl)amino]-4-methyl-valeric acid Formula: C13H19NO3S MolecularWeight: 269.35986

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19NO3S/c1-4-9-5-6-11(18-9)12(15)14-10(13(16)17)7-8(2)3/h5-6,8,10H,4,7H2,1-3H3,(H,14,15)(H,16,17)