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

Systemtic Name: (phenylmethyl) 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NCC(=O)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NCC(=O)OCC3=CC=CC=C3)C

InChI

InChI=1S/C22H23N3O3S/c1-16-8-9-19(12-17(16)2)25-11-10-23-22(25)29-15-20(26)24-13-21(27)28-14-18-6-4-3-5-7-18/h3-12H,13-15H2,1-2H3,(H,24,26)