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

Systemtic Name: methyl 4-[2-[(4-ethyl-5-methyl-1H-imidazol-2-yl)sulfanyl]ethanoylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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