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

Systemtic Name: 2-[[(2S)-2-ethylhexanoyl]amino]thiophene-3-carboxylate Openeye Name: 2-[[(2S)-2-ethylhexanoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(2S)-2-ethyl-1-oxohexyl]amino]-3-thiophenecarboxylate IUPAC Name: 2-[[(2S)-2-ethylhexanoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(2S)-2-ethylhexanoyl]amino]-3-thenoate Formula: C13H18NO3S- MolecularWeight: 268.35192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C(=O)NC1=C(C=CS1)C(=O)[O-]

Isomeric SMILES

CCCC[C@H](CC)C(=O)NC1=C(C=CS1)C(=O)[O-]

InChI

InChI=1S/C13H19NO3S/c1-3-5-6-9(4-2)11(15)14-12-10(13(16)17)7-8-18-12/h7-9H,3-6H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m0/s1