3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanylpropanoate

Systemtic Name: 3-[2-oxidanylidene-2-(prop-2-enylamino)ethyl]sulfanylpropanoate Openeye Name: 3-[2-(allylamino)-2-oxo-ethyl]sulfanylpropanoate CAS Name: 3-[[2-oxo-2-(prop-2-enylamino)ethyl]thio]propanoate IUPAC Name: 3-[2-oxo-2-(prop-2-enylamino)ethyl]sulfanylpropanoate Traditional Name: 3-[[2-(allylamino)-2-keto-ethyl]thio]propionate Formula: C8H12NO3S- MolecularWeight: 202.25078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCNC(=O)CSCCC(=O)[O-]

Isomeric SMILES

C=CCNC(=O)CSCCC(=O)[O-]

InChI

InChI=1S/C8H13NO3S/c1-2-4-9-7(10)6-13-5-3-8(11)12/h2H,1,3-6H2,(H,9,10)(H,11,12)/p-1