methyl 4-[2-[1-(2-methoxy-5-methyl-phenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-[2-[1-(2-methoxy-5-methyl-phenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-[[2-[1-(2-methoxy-5-methyl-phenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[1-(2-methoxy-5-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(2-methoxy-5-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-methoxy-5-methyl-phenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C=CN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H21N3O4S/c1-14-4-9-18(27-2)17(12-14)24-11-10-22-21(24)29-13-19(25)23-16-7-5-15(6-8-16)20(26)28-3/h4-12H,13H2,1-3H3,(H,23,25)