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

Systemtic Name: 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]benzoate CAS Name: 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]benzoate Traditional Name: 3-[[2-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid methyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCC(=O)NC2=CC=CC(=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-14-18(11-15-7-4-3-5-8-15)24-21(22-14)28-13-19(25)23-17-10-6-9-16(12-17)20(26)27-2/h3-10,12H,11,13H2,1-2H3,(H,22,24)(H,23,25)