[2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate

Systemtic Name: [2-oxidanylidene-2-(propylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-oxo-2-[[oxo(propylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propylcarbamoylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-keto-2-(propylcarbamoylamino)ethyl] ester Formula: C16H19N3O4S2 MolecularWeight: 381.46976

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC(=O)COC(=O)CCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CCCNC(=O)NC(=O)COC(=O)CCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H19N3O4S2/c1-2-8-17-15(22)19-13(20)10-23-14(21)7-9-24-16-18-11-5-3-4-6-12(11)25-16/h3-6H,2,7-10H2,1H3,(H2,17,19,20,22)