methyl 2-[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoyl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanoyl]amino]benzoate Openeye Name: methyl 2-[methyl-[2-[1-(o-tolyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[methyl-[2-[[1-(2-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[methyl-[2-[[1-(o-tolyl)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=CC=CC=C1N2C=CN=C2SCC(=O)N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=CC=CC=C1N2C=CN=C2SCC(=O)N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21N3O3S/c1-15-8-4-6-10-17(15)24-13-12-22-21(24)28-14-19(25)23(2)18-11-7-5-9-16(18)20(26)27-3/h4-13H,14H2,1-3H3