methyl 4-[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyethanoylamino]methyl]benzoate

Systemtic Name: methyl 4-[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyethanoylamino]methyl]benzoate Openeye Name: methyl 4-[[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyacetyl]amino]methyl]benzoate CAS Name: 4-[[[1-oxo-2-[(E)-1-oxo-3-(phenylthio)prop-2-enoxy]ethyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[[2-[(E)-3-phenylsulfanylprop-2-enoyl]oxyacetyl]amino]methyl]benzoate Traditional Name: 4-[[[2-[(E)-3-(phenylthio)acryloyl]oxyacetyl]amino]methyl]benzoic acid methyl ester Formula: C20H19NO5S MolecularWeight: 385.43356

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC(=O)COC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H19NO5S/c1-25-20(24)16-9-7-15(8-10-16)13-21-18(22)14-26-19(23)11-12-27-17-5-3-2-4-6-17/h2-12H,13-14H2,1H3,(H,21,22)/b12-11+