[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [2-(allylamino)-1-methyl-2-oxo-ethyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(prop-2-enylamino)propan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H18N2O5S2 MolecularWeight: 346.42242

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CCNS(=O)(=O)C1=CC=CS1

Isomeric SMILES

CC(C(=O)NCC=C)OC(=O)CCNS(=O)(=O)C1=CC=CS1

InChI

InChI=1S/C13H18N2O5S2/c1-3-7-14-13(17)10(2)20-11(16)6-8-15-22(18,19)12-5-4-9-21-12/h3-5,9-10,15H,1,6-8H2,2H3,(H,14,17)