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

Systemtic Name: ethyl 4-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2C

InChI

InChI=1S/C15H17N3O3S/c1-3-21-14(20)11-4-6-12(7-5-11)17-13(19)10-22-15-16-8-9-18(15)2/h4-9H,3,10H2,1-2H3,(H,17,19)