ethyl 4-[2-[1-(thiophen-2-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[1-(thiophen-2-ylmethyl)imidazol-2-yl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[1-(2-thienylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[[1-(thiophen-2-ylmethyl)-2-imidazolyl]thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[1-(thiophen-2-ylmethyl)imidazol-2-yl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[1-(2-thenyl)imidazol-2-yl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C19H19N3O3S2 MolecularWeight: 401.50246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=CN2CC3=CC=CS3

InChI

InChI=1S/C19H19N3O3S2/c1-2-25-18(24)14-5-7-15(8-6-14)21-17(23)13-27-19-20-9-10-22(19)12-16-4-3-11-26-16/h3-11H,2,12-13H2,1H3,(H,21,23)