3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid

Systemtic Name: 3-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylpropanoic acid Openeye Name: 3-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylpropanoic acid CAS Name: 3-[[2-(4-ethylanilino)-2-oxoethyl]thio]propanoic acid IUPAC Name: 3-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanoic acid Traditional Name: 3-[[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)CSCCC(=O)O

Isomeric SMILES

CCC1=CC=C(C=C1)NC(=O)CSCCC(=O)O

InChI

InChI=1S/C13H17NO3S/c1-2-10-3-5-11(6-4-10)14-12(15)9-18-8-7-13(16)17/h3-6H,2,7-9H2,1H3,(H,14,15)(H,16,17)