methyl 2-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]phenyl]sulfonylamino]ethanoate

Systemtic Name: methyl 2-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]phenyl]sulfonylamino]ethanoate Openeye Name: methyl 2-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]phenyl]sulfonylamino]acetate CAS Name: 2-[[4-[[(E)-1-oxo-3-(phenylthio)prop-2-enyl]amino]phenyl]sulfonylamino]acetic acid methyl ester IUPAC Name: methyl 2-[[4-[[(E)-3-phenylsulfanylprop-2-enoyl]amino]phenyl]sulfonylamino]acetate Traditional Name: 2-[[4-[[(E)-3-(phenylthio)acryloyl]amino]phenyl]sulfonylamino]acetic acid methyl ester Formula: C18H18N2O5S2 MolecularWeight: 406.47592

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)C=CSC2=CC=CC=C2

Isomeric SMILES

COC(=O)CNS(=O)(=O)C1=CC=C(C=C1)NC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O5S2/c1-25-18(22)13-19-27(23,24)16-9-7-14(8-10-16)20-17(21)11-12-26-15-5-3-2-4-6-15/h2-12,19H,13H2,1H3,(H,20,21)/b12-11+