[2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylsulfanylethylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate Openeye Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (Z)-2-acetamido-3-phenyl-prop-2-enoate CAS Name: (Z)-2-acetamido-3-phenyl-2-propenoic acid [2-oxo-2-[2-(phenylthio)ethylamino]ethyl] ester IUPAC Name: [2-oxo-2-(2-phenylsulfanylethylamino)ethyl] (Z)-2-acetamido-3-phenylprop-2-enoate Traditional Name: (Z)-2-acetamido-3-phenyl-acrylic acid [2-keto-2-[2-(phenylthio)ethylamino]ethyl] ester Formula: C21H22N2O4S MolecularWeight: 398.47538

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC=CC=C1)C(=O)OCC(=O)NCCSC2=CC=CC=C2

Isomeric SMILES

CC(=O)N/C(=C\C1=CC=CC=C1)/C(=O)OCC(=O)NCCSC2=CC=CC=C2

InChI

InChI=1S/C21H22N2O4S/c1-16(24)23-19(14-17-8-4-2-5-9-17)21(26)27-15-20(25)22-12-13-28-18-10-6-3-7-11-18/h2-11,14H,12-13,15H2,1H3,(H,22,25)(H,23,24)/b19-14-