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

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C15H18N2O3S2 MolecularWeight: 338.44502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18N2O3S2/c1-10(2)16-13(18)9-20-14(19)7-8-21-15-17-11-5-3-4-6-12(11)22-15/h3-6,10H,7-9H2,1-2H3,(H,16,18)