methyl 4-methyl-3-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[2-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]-4-methyl-benzoic acid methyl ester Formula: C22H23N3O3S MolecularWeight: 409.50132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CSC2=NC(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O3S/c1-14-9-10-17(21(27)28-3)12-18(14)24-20(26)13-29-22-23-15(2)19(25-22)11-16-7-5-4-6-8-16/h4-10,12H,11,13H2,1-3H3,(H,23,25)(H,24,26)