methyl 4-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate

Systemtic Name: methyl 4-[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[1-(4-isopropylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[1-oxo-2-[[1-(4-propan-2-ylphenyl)-2-imidazolyl]thio]ethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[(1-p-cumenylimidazol-2-yl)thio]acetyl]amino]butyric acid methyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCCCC(=O)OC

Isomeric SMILES

CC(C)C1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCCCC(=O)OC

InChI

InChI=1S/C19H25N3O3S/c1-14(2)15-6-8-16(9-7-15)22-12-11-21-19(22)26-13-17(23)20-10-4-5-18(24)25-3/h6-9,11-12,14H,4-5,10,13H2,1-3H3,(H,20,23)