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

Systemtic Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[1-(3,4-dimethylphenyl)imidazol-2-yl]thio]acetyl]amino]acetic acid methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19N3O3S/c1-11-4-5-13(8-12(11)2)19-7-6-17-16(19)23-10-14(20)18-9-15(21)22-3/h4-8H,9-10H2,1-3H3,(H,18,20)