[2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(phenylmethyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(phenylmethyl)-2-benzimidazolyl]thio]acetic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-benzylbenzimidazol-2-yl)thio]acetic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C26H25N3O3S MolecularWeight: 459.56

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC4=CC=CC=C4

InChI

InChI=1S/C26H25N3O3S/c1-2-20-12-6-7-13-21(20)27-24(30)17-32-25(31)18-33-26-28-22-14-8-9-15-23(22)29(26)16-19-10-4-3-5-11-19/h3-15H,2,16-18H2,1H3,(H,27,30)