[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

CC(C)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C16H20N2O3S2/c1-11(2)17-14(19)10-21-15(20)8-5-9-22-16-18-12-6-3-4-7-13(12)23-16/h3-4,6-7,11H,5,8-10H2,1-2H3,(H,17,19)