ethyl 4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-butyl-4,5-dimethyl-imidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-butyl-4,5-dimethyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-butyl-4,5-dimethyl-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C)C

Isomeric SMILES

CCCCN1C(=C(N=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C)C

InChI

InChI=1S/C20H27N3O3S/c1-5-7-12-23-15(4)14(3)21-20(23)27-13-18(24)22-17-10-8-16(9-11-17)19(25)26-6-2/h8-11H,5-7,12-13H2,1-4H3,(H,22,24)