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

Systemtic Name: ethyl 4-[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4-butyl-5-methyl-1H-imidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

Isomeric SMILES

CCCCC1=C(NC(=N1)SCC(=O)NC2=CC=C(C=C2)C(=O)OCC)C

InChI

InChI=1S/C19H25N3O3S/c1-4-6-7-16-13(3)20-19(22-16)26-12-17(23)21-15-10-8-14(9-11-15)18(24)25-5-2/h8-11H,4-7,12H2,1-3H3,(H,20,22)(H,21,23)