ethyl 4-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate

Systemtic Name: ethyl 4-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Openeye Name: ethyl 4-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate CAS Name: 4-[[3-[(1-methyl-2-imidazolyl)thio]-1-oxopropyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(1-methylimidazol-2-yl)sulfanylpropanoylamino]benzoate Traditional Name: 4-[3-[(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)CCSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCSC2=NC=CN2C

InChI

InChI=1S/C16H19N3O3S/c1-3-22-15(21)12-4-6-13(7-5-12)18-14(20)8-11-23-16-17-9-10-19(16)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,18,20)