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

Systemtic Name: ethyl 4-[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCC1=C(NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C17H21N3O3S/c1-4-14-11(3)18-17(20-14)24-10-15(21)19-13-8-6-12(7-9-13)16(22)23-5-2/h6-9H,4-5,10H2,1-3H3,(H,18,20)(H,19,21)