(2R)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate

Systemtic Name: (2R)-2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoate Openeye Name: (2R)-2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: (2R)-2-[[2-(4-ethylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2R)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2R)-2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]propionate Formula: C13H16NO3S- MolecularWeight: 266.33604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSC(C)C(=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CS[C@H](C)C(=O)[O-]

InChI

InChI=1S/C13H17NO3S/c1-3-10-4-6-11(7-5-10)14-12(15)8-18-9(2)13(16)17/h4-7,9H,3,8H2,1-2H3,(H,14,15)(H,16,17)/p-1/t9-/m1/s1