[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(5-bromanylfuran-2-yl)prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(5-bromo-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-furanyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(5-bromofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-furyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C17H16BrNO4S MolecularWeight: 410.28224

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C=CC2=CC=C(O2)Br

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)/C=C/C2=CC=C(O2)Br

InChI

InChI=1S/C17H16BrNO4S/c18-15-8-6-13(23-15)7-9-17(21)22-12-16(20)19-10-11-24-14-4-2-1-3-5-14/h1-9H,10-12H2,(H,19,20)/b9-7+