(2S)-2-azaniumyl-3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate

Systemtic Name: (2S)-2-azaniumyl-3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-propanoate Openeye Name: (2S)-2-azaniumyl-3-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanyl-propanoate CAS Name: (2S)-2-ammonio-3-[[2-(4-ethylanilino)-2-oxoethyl]thio]propanoate IUPAC Name: (2S)-2-azaniumyl-3-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoate Traditional Name: (2S)-2-ammonio-3-[[2-(4-ethylanilino)-2-keto-ethyl]thio]propionate Formula: C13H18N2O3S MolecularWeight: 282.35862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC(=O)CSCC(C(=O)[O-])[NH3+]

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSC[C@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C13H18N2O3S/c1-2-9-3-5-10(6-4-9)15-12(16)8-19-7-11(14)13(17)18/h3-6,11H,2,7-8,14H2,1H3,(H,15,16)(H,17,18)/t11-/m1/s1