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

Systemtic Name: [2-(tert-butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(tert-butylcarbamoylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-[[(tert-butylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(tert-butylcarbamoylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(tert-butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N3O4S2 MolecularWeight: 395.49634

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O4S2/c1-17(2,3)20-15(23)19-13(21)10-24-14(22)8-9-25-16-18-11-6-4-5-7-12(11)26-16/h4-7H,8-10H2,1-3H3,(H2,19,20,21,23)