ethyl 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: ethyl 4-[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: ethyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(3,5-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(3,5-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=CC(=CC(=C2)C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H25N3O3S/c1-4-25-18(24)6-5-7-20-17(23)13-26-19-21-8-9-22(19)16-11-14(2)10-15(3)12-16/h8-12H,4-7,13H2,1-3H3,(H,20,23)