methyl 4-[[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate CAS Name: 4-[[[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]methyl]benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

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