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

Systemtic Name: methyl 2-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 2-[[2-[[1-(3,4-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 2-[[2-[[1-(3,4-dimethylphenyl)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(C=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=CN=C2SCC(=O)NC3=CC=CC=C3C(=O)OC)C

InChI

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