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

Systemtic Name: ethyl 4-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(2,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(2,5-dimethylphenyl)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:

CCOC(=O)CCCNC(=O)CSC1=NC=CN1C2=C(C=CC(=C2)C)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)CSC1=NC=CN1C2=C(C=CC(=C2)C)C

InChI

InChI=1S/C19H25N3O3S/c1-4-25-18(24)6-5-9-20-17(23)13-26-19-21-10-11-22(19)16-12-14(2)7-8-15(16)3/h7-8,10-12H,4-6,9,13H2,1-3H3,(H,20,23)