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

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate CAS Name: 4-(1,3-benzothiazol-2-ylthio)butanoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 4-(1,3-benzothiazol-2-ylsulfanyl)butanoate Traditional Name: 4-(1,3-benzothiazol-2-ylthio)butyric acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H20N2O3S2 MolecularWeight: 364.4823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)CCCSC2=NC3=CC=CC=C3S2

InChI

InChI=1S/C17H20N2O3S2/c1-11(16(21)18-12-8-9-12)22-15(20)7-4-10-23-17-19-13-5-2-3-6-14(13)24-17/h2-3,5-6,11-12H,4,7-10H2,1H3,(H,18,21)/t11-/m1/s1