[(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H24N2O3S2 MolecularWeight: 380.52476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=O)C(C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

Isomeric SMILES

C[C@@H](C(=O)NCC(C)C)OC(=O)CCCSC1=NC2=CC=CC=C2S1

InChI

InChI=1S/C18H24N2O3S2/c1-12(2)11-19-17(22)13(3)23-16(21)9-6-10-24-18-20-14-7-4-5-8-15(14)25-18/h4-5,7-8,12-13H,6,9-11H2,1-3H3,(H,19,22)/t13-/m0/s1