[(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]ethanoate Openeye Name: [(1R)-2-(allylamino)-1-methyl-2-oxo-ethyl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate CAS Name: 2-[2-[(methylthio)methyl]-1-benzimidazolyl]acetic acid [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(prop-2-enylamino)propan-2-yl] 2-[2-(methylsulfanylmethyl)benzimidazol-1-yl]acetate Traditional Name: 2-[2-[(methylthio)methyl]benzimidazol-1-yl]acetic acid [(1R)-2-(allylamino)-2-keto-1-methyl-ethyl] ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC=C)OC(=O)CN1C2=CC=CC=C2N=C1CSC

Isomeric SMILES

C[C@H](C(=O)NCC=C)OC(=O)CN1C2=CC=CC=C2N=C1CSC

InChI

InChI=1S/C17H21N3O3S/c1-4-9-18-17(22)12(2)23-16(21)10-20-14-8-6-5-7-13(14)19-15(20)11-24-3/h4-8,12H,1,9-11H2,2-3H3,(H,18,22)/t12-/m1/s1