2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]propionic acid Formula: C13H17NO3S MolecularWeight: 267.34398

Click to see the large picture

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)CSC(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)