[2-(methylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-yl)propanoate CAS Name: 3-(1,3-benzothiazol-2-yl)propanoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-yl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-yl)propionic acid [2-keto-2-(methylamino)ethyl] ester Formula: C13H14N2O3S MolecularWeight: 278.32686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

Isomeric SMILES

CNC(=O)COC(=O)CCC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C13H14N2O3S/c1-14-11(16)8-18-13(17)7-6-12-15-9-4-2-3-5-10(9)19-12/h2-5H,6-8H2,1H3,(H,14,16)