ethyl 4-[2-[3-(cyanomethoxy)-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[3-(cyanomethoxy)-3-oxidanylidene-propyl]sulfanylethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[3-(cyanomethoxy)-3-oxo-propyl]sulfanylacetyl]amino]benzoate CAS Name: 4-[[2-[[3-(cyanomethoxy)-3-oxopropyl]thio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[3-(cyanomethoxy)-3-oxopropyl]sulfanylacetyl]amino]benzoate Traditional Name: 4-[[2-[[3-(cyanomethoxy)-3-keto-propyl]thio]acetyl]amino]benzoic acid ethyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OCC#N

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CSCCC(=O)OCC#N

InChI

InChI=1S/C16H18N2O5S/c1-2-22-16(21)12-3-5-13(6-4-12)18-14(19)11-24-10-7-15(20)23-9-8-17/h3-6H,2,7,9-11H2,1H3,(H,18,19)