(2S)-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid

Systemtic Name: (2S)-2-[2-[(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl]sulfonylpropanoic acid Openeye Name: (2S)-2-[2-(4-ethoxyanilino)-2-oxo-ethyl]sulfonylpropanoic acid CAS Name: (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfonylpropanoic acid IUPAC Name: (2S)-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfonylpropanoic acid Traditional Name: (2S)-2-[2-keto-2-(p-phenetidino)ethyl]sulfonylpropionic acid Formula: C13H17NO6S MolecularWeight: 315.34218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)NC(=O)CS(=O)(=O)C(C)C(=O)O

Isomeric SMILES

CCOC1=CC=C(C=C1)NC(=O)CS(=O)(=O)[C@@H](C)C(=O)O

InChI

InChI=1S/C13H17NO6S/c1-3-20-11-6-4-10(5-7-11)14-12(15)8-21(18,19)9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/t9-/m0/s1