methyl 4-methyl-3-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 4-methyl-3-[[2-[1-(m-tolyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-methyl-3-[[2-[[1-(3-methylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-methyl-3-[[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-methyl-3-[[2-[[1-(m-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=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

Isomeric SMILES

CC1=CC(=CC=C1)N2C=CN=C2SCC(=O)NC3=C(C=CC(=C3)C(=O)OC)C

InChI

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