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

Systemtic Name: ethyl 4-[2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4,5-dimethyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4,5-dimethyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC(=C(N2)C)C

InChI

InChI=1S/C16H19N3O3S/c1-4-22-15(21)12-5-7-13(8-6-12)19-14(20)9-23-16-17-10(2)11(3)18-16/h5-8H,4,9H2,1-3H3,(H,17,18)(H,19,20)