[(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [(2R)-1-(cyclopropylamino)-1-oxidanylidene-propan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(cyclopropylamino)-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [(1R)-2-(cyclopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OC(C)C(=O)NC3CC3

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)O[C@H](C)C(=O)NC3CC3

InChI

InChI=1S/C18H23N3O3S/c1-3-10-21-15-7-5-4-6-14(15)20-18(21)25-11-16(22)24-12(2)17(23)19-13-8-9-13/h4-7,12-13H,3,8-11H2,1-2H3,(H,19,23)/t12-/m1/s1