methyl 4-[2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-[(4-methoxyphenyl)methyl]-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-[(4-methoxyphenyl)methyl]imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-p-anisylimidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)CN2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-27-18-9-3-15(4-10-18)13-24-12-11-22-21(24)29-14-19(25)23-17-7-5-16(6-8-17)20(26)28-2/h3-12H,13-14H2,1-2H3,(H,23,25)