ethyl 4-[2-(2-oxidanylidene-2-phenacyloxy-ethyl)sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-(2-oxidanylidene-2-phenacyloxy-ethyl)sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-(2-oxo-2-phenacyloxy-ethyl)sulfanylacetyl]amino]benzoate CAS Name: 4-[[1-oxo-2-[(2-oxo-2-phenacyloxyethyl)thio]ethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-(2-oxo-2-phenacyloxyethyl)sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[(2-keto-2-phenacyloxy-ethyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)OCC(=O)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCC(=O)OCC(=O)C2=CC=CC=C2

InChI

InChI=1S/C21H21NO6S/c1-2-27-21(26)16-8-10-17(11-9-16)22-19(24)13-29-14-20(25)28-12-18(23)15-6-4-3-5-7-15/h3-11H,2,12-14H2,1H3,(H,22,24)