[2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [2-(2,4-diacetamidophenyl)-2-oxidanylidene-ethyl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [2-(2,4-diacetamidophenyl)-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [2-(2,4-diacetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,4-diacetamidophenyl)-2-oxoethyl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [2-(2,4-diacetamidophenyl)-2-keto-ethyl] ester Formula: C21H20N2O5S MolecularWeight: 412.4589

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)C=CSC2=CC=CC=C2)NC(=O)C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)C(=O)COC(=O)/C=C/SC2=CC=CC=C2)NC(=O)C

InChI

InChI=1S/C21H20N2O5S/c1-14(24)22-16-8-9-18(19(12-16)23-15(2)25)20(26)13-28-21(27)10-11-29-17-6-4-3-5-7-17/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)/b11-10+