[2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate

Systemtic Name: [2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-thiophen-3-ylpropanoate Openeye Name: [2-[methyl-[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-(3-thienyl)propanoate CAS Name: 3-(3-thiophenyl)propanoic acid [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-thiophen-3-ylpropanoate Traditional Name: 3-(3-thienyl)propionic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]-methyl-amino]ethyl] ester Formula: C13H18N2O4S MolecularWeight: 298.35802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)CN(C)C(=O)COC(=O)CCC1=CSC=C1

Isomeric SMILES

CNC(=O)CN(C)C(=O)COC(=O)CCC1=CSC=C1

InChI

InChI=1S/C13H18N2O4S/c1-14-11(16)7-15(2)12(17)8-19-13(18)4-3-10-5-6-20-9-10/h5-6,9H,3-4,7-8H2,1-2H3,(H,14,16)