methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate

Systemtic Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]-3-methyl-pentanoate Openeye Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-methyl-pentanoate CAS Name: 2-[[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]-3-methylpentanoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]-3-methylpentanoate Traditional Name: 2-[[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]-3-methyl-valeric acid methyl ester Formula: C20H27N3O3S MolecularWeight: 389.51168

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=CN1C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)CSC1=NC=CN1C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C20H27N3O3S/c1-6-13(2)18(19(25)26-5)22-17(24)12-27-20-21-9-10-23(20)16-8-7-14(3)15(4)11-16/h7-11,13,18H,6,12H2,1-5H3,(H,22,24)