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

Systemtic Name: methyl 4-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate Openeye Name: methyl 4-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate CAS Name: 4-[[[2-[[1-(4-methoxyphenyl)-2-imidazolyl]thio]-1-oxopropyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylpropanoylamino]methyl]benzoate Traditional Name: 4-[[2-[[1-(4-methoxyphenyl)imidazol-2-yl]thio]propanoylamino]methyl]benzoic acid methyl ester Formula: C22H23N3O4S MolecularWeight: 425.50072

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=CN2C3=CC=C(C=C3)OC

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C(=O)OC)SC2=NC=CN2C3=CC=C(C=C3)OC

InChI

InChI=1S/C22H23N3O4S/c1-15(20(26)24-14-16-4-6-17(7-5-16)21(27)29-3)30-22-23-12-13-25(22)18-8-10-19(28-2)11-9-18/h4-13,15H,14H2,1-3H3,(H,24,26)