[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate CAS Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1,3-benzothiazol-2-ylsulfanylmethyl)benzoate Traditional Name: 2-[(1,3-benzothiazol-2-ylthio)methyl]benzoic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N2O3S2 MolecularWeight: 412.5251

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CC1)OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

Isomeric SMILES

C[C@H](C(=O)NC1CC1)OC(=O)C2=CC=CC=C2CSC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H20N2O3S2/c1-13(19(24)22-15-10-11-15)26-20(25)16-7-3-2-6-14(16)12-27-21-23-17-8-4-5-9-18(17)28-21/h2-9,13,15H,10-12H2,1H3,(H,22,24)/t13-/m1/s1