[(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate

Systemtic Name: [(2S)-1-[(4-acetamidophenyl)amino]-1-oxidanylidene-propan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Openeye Name: [(1S)-2-(4-acetamidoanilino)-1-methyl-2-oxo-ethyl] (E)-3-phenylsulfanylprop-2-enoate CAS Name: (E)-3-(phenylthio)-2-propenoic acid [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] (E)-3-phenylsulfanylprop-2-enoate Traditional Name: (E)-3-(phenylthio)acrylic acid [(1S)-2-(4-acetamidoanilino)-2-keto-1-methyl-ethyl] ester Formula: C20H20N2O4S MolecularWeight: 384.4488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)NC(=O)C)OC(=O)/C=C/SC2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4S/c1-14(26-19(24)12-13-27-18-6-4-3-5-7-18)20(25)22-17-10-8-16(9-11-17)21-15(2)23/h3-14H,1-2H3,(H,21,23)(H,22,25)/b13-12+/t14-/m0/s1