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

Systemtic Name: methyl 4-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]butanoate Openeye Name: methyl 4-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate CAS Name: 4-[[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]butanoate Traditional Name: 4-[[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]butyric acid methyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NCCCC(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NCCCC(=O)OC)C

InChI

InChI=1S/C18H23N3O3S/c1-13-6-7-15(11-14(13)2)21-10-9-20-18(21)25-12-16(22)19-8-4-5-17(23)24-3/h6-7,9-11H,4-5,8,12H2,1-3H3,(H,19,22)