(phenylmethyl) 2-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylethanoylamino]ethanoate Openeye Name: benzyl 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetate CAS Name: 2-[[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylacetyl]amino]acetate Traditional Name: 2-[[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]acetyl]amino]acetic acid benzyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC(=O)OCC3=CC=CC=C3

Isomeric SMILES

COC1=CC=C(C=C1)N2C=CN=C2SCC(=O)NCC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O4S/c1-27-18-9-7-17(8-10-18)24-12-11-22-21(24)29-15-19(25)23-13-20(26)28-14-16-5-3-2-4-6-16/h2-12H,13-15H2,1H3,(H,23,25)