[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-(8-quinolyl)prop-2-enoate CAS Name: (E)-3-(8-quinolinyl)-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (E)-3-quinolin-8-ylprop-2-enoate Traditional Name: (E)-3-(8-quinolyl)acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C22H20N2O3S MolecularWeight: 392.4708

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SCCNC(=O)COC(=O)C=CC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)SCCNC(=O)COC(=O)/C=C/C2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C22H20N2O3S/c25-20(23-14-15-28-19-9-2-1-3-10-19)16-27-21(26)12-11-18-7-4-6-17-8-5-13-24-22(17)18/h1-13H,14-16H2,(H,23,25)/b12-11+