ethyl 4-[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-(1-ethyl-5-phenyl-imidazol-2-yl)sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[(1-ethyl-5-phenyl-2-imidazolyl)thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-ethyl-5-phenyl-imidazol-2-yl)thio]acetyl]amino]butyric acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CN=C1SCC(=O)NCCCC(=O)OCC)C2=CC=CC=C2

Isomeric SMILES

CCN1C(=CN=C1SCC(=O)NCCCC(=O)OCC)C2=CC=CC=C2

InChI

InChI=1S/C19H25N3O3S/c1-3-22-16(15-9-6-5-7-10-15)13-21-19(22)26-14-17(23)20-12-8-11-18(24)25-4-2/h5-7,9-10,13H,3-4,8,11-12,14H2,1-2H3,(H,20,23)