[2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate

Systemtic Name: [2-[(2-ethyl-6-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylethanoate Openeye Name: [2-(2-ethyl-6-methyl-anilino)-2-oxo-ethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate CAS Name: 2-[(1-propyl-2-benzimidazolyl)thio]acetic acid [2-(2-ethyl-6-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-ethyl-6-methylanilino)-2-oxoethyl] 2-(1-propylbenzimidazol-2-yl)sulfanylacetate Traditional Name: 2-[(1-propylbenzimidazol-2-yl)thio]acetic acid [2-(2-ethyl-6-methyl-anilino)-2-keto-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=CC=C3CC)C

Isomeric SMILES

CCCN1C2=CC=CC=C2N=C1SCC(=O)OCC(=O)NC3=C(C=CC=C3CC)C

InChI

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