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

Systemtic Name: [(2R)-1-oxidanylidene-1-phenylazanyl-propan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [(1R)-2-anilino-1-methyl-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [(2R)-1-anilino-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-anilino-1-oxopropan-2-yl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [(1R)-2-anilino-2-keto-1-methyl-ethyl] ester Formula: C21H23N3O3S MolecularWeight: 397.49062

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OC(C)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)O[C@H](C)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H23N3O3S/c1-3-13-24-18-12-8-7-11-17(18)23-21(24)28-14-19(25)27-15(2)20(26)22-16-9-5-4-6-10-16/h4-12,15H,3,13-14H2,1-2H3,(H,22,26)/t15-/m1/s1