ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[2-[(1-methylimidazol-2-yl)thio]propanoylamino]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)C(C)SC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)SC2=NC=CN2C

InChI

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