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

Systemtic Name: [2-[(2-ethylphenyl)amino]-2-oxidanylidene-ethyl] 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylethanoate Openeye Name: [2-(2-ethylanilino)-2-oxo-ethyl] 2-(1-isobutylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[[1-(2-methylpropyl)-2-benzimidazolyl]thio]acetic acid [2-(2-ethylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethylanilino)-2-oxoethyl] 2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylacetate Traditional Name: 2-[(1-isobutylbenzimidazol-2-yl)thio]acetic acid [2-(2-ethylanilino)-2-keto-ethyl] ester Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)COC(=O)CSC2=NC3=CC=CC=C3N2CC(C)C

InChI

InChI=1S/C23H27N3O3S/c1-4-17-9-5-6-10-18(17)24-21(27)14-29-22(28)15-30-23-25-19-11-7-8-12-20(19)26(23)13-16(2)3/h5-12,16H,4,13-15H2,1-3H3,(H,24,27)