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

Systemtic Name: [2-(tert-butylamino)-2-oxidanylidene-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Openeye Name: [2-(tert-butylamino)-2-oxo-ethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate CAS Name: 3-(1,3-benzothiazol-2-ylthio)propanoic acid [2-(tert-butylamino)-2-oxoethyl] ester IUPAC Name: [2-(tert-butylamino)-2-oxoethyl] 3-(1,3-benzothiazol-2-ylsulfanyl)propanoate Traditional Name: 3-(1,3-benzothiazol-2-ylthio)propionic acid [2-(tert-butylamino)-2-keto-ethyl] ester Formula: C16H20N2O3S2 MolecularWeight: 352.4716

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N2O3S2/c1-16(2,3)18-13(19)10-21-14(20)8-9-22-15-17-11-6-4-5-7-12(11)23-15/h4-7H,8-10H2,1-3H3,(H,18,19)