[2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-keto-2-[[(1R)-1-phenylethyl]amino]ethyl] ester Formula: C22H25N3O3S MolecularWeight: 411.5172

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C22H25N3O3S/c1-3-13-25-19-12-8-7-11-18(19)24-22(25)29-15-21(27)28-14-20(26)23-16(2)17-9-5-4-6-10-17/h4-12,16H,3,13-15H2,1-2H3,(H,23,26)/t16-/m1/s1