[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid (2-keto-2-mesidino-ethyl) ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=C(C=C(C=C3C)C)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=C(C=C(C=C3C)C)C

InChI

InChI=1S/C23H27N3O3S/c1-5-10-26-19-9-7-6-8-18(19)24-23(26)30-14-21(28)29-13-20(27)25-22-16(3)11-15(2)12-17(22)4/h6-9,11-12H,5,10,13-14H2,1-4H3,(H,25,27)