5-[[(2S)-2-ethylhexanoyl]amino]-3-methyl-thiophene-2-carboxylate

Systemtic Name: 5-[[(2S)-2-ethylhexanoyl]amino]-3-methyl-thiophene-2-carboxylate Openeye Name: 5-[[(2S)-2-ethylhexanoyl]amino]-3-methyl-thiophene-2-carboxylate CAS Name: 5-[[(2S)-2-ethyl-1-oxohexyl]amino]-3-methyl-2-thiophenecarboxylate IUPAC Name: 5-[[(2S)-2-ethylhexanoyl]amino]-3-methylthiophene-2-carboxylate Traditional Name: 5-[[(2S)-2-ethylhexanoyl]amino]-3-methyl-2-thenoate Formula: C14H20NO3S- MolecularWeight: 282.3785

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=CC(=C(S1)C(=O)[O-])C

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=CC(=C(S1)C(=O)[O-])C

InChI

InChI=1S/C14H21NO3S/c1-4-6-7-10(5-2)13(16)15-11-8-9(3)12(19-11)14(17)18/h8,10H,4-7H2,1-3H3,(H,15,16)(H,17,18)/p-1/t10-/m0/s1