3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-oxidanylidene-2-[(4-propan-2-ylphenyl)amino]ethyl]sulfanylpropanoate Openeye Name: 3-[2-(4-isopropylanilino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-(4-propan-2-ylanilino)ethyl]thio]propanoate IUPAC Name: 3-[2-oxo-2-(4-propan-2-ylanilino)ethyl]sulfanylpropanoate Traditional Name: 3-[(2-cumidino-2-keto-ethyl)thio]propionate Formula: C14H18NO3S- MolecularWeight: 280.36262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)NC(=O)CSCCC(=O)[O-]

Isomeric SMILES

CC(C)C1=CC=C(C=C1)NC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C14H19NO3S/c1-10(2)11-3-5-12(6-4-11)15-13(16)9-19-8-7-14(17)18/h3-6,10H,7-9H2,1-2H3,(H,15,16)(H,17,18)/p-1