[2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [2-oxidanylidene-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [2-[[(1R)-1-methylbutyl]amino]-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(2R)-pentan-2-yl]amino]ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [2-keto-2-[[(1R)-1-methylbutyl]amino]ethyl] ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCC[C@@H](C)NC(=O)COC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S2/c1-3-7-13(2)19-16(21)12-23-17(22)10-6-11-24-18-20-14-8-4-5-9-15(14)25-18/h4-5,8-9,13H,3,6-7,10-12H2,1-2H3,(H,19,21)/t13-/m1/s1