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

Systemtic Name: 2-[2-[(4-ethylphenyl)amino]-2-oxidanylidene-ethyl]sulfanylethanoic acid Openeye Name: 2-[2-(4-ethylanilino)-2-oxo-ethyl]sulfanylacetic acid CAS Name: 2-[[2-(4-ethylanilino)-2-oxoethyl]thio]acetic acid IUPAC Name: 2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylacetic acid Traditional Name: 2-[[2-(4-ethylanilino)-2-keto-ethyl]thio]acetic acid Formula: C12H15NO3S MolecularWeight: 253.3174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO3S/c1-2-9-3-5-10(6-4-9)13-11(14)7-17-8-12(15)16/h3-6H,2,7-8H2,1H3,(H,13,14)(H,15,16)