[2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate

Systemtic Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxidanylidene-ethyl] (2R)-2-phenylsulfanylpropanoate Openeye Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxo-ethyl] (2R)-2-phenylsulfanylpropanoate CAS Name: (2R)-2-(phenylthio)propanoic acid [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-[methyl(methylsulfonyl)amino]phenyl]-2-oxoethyl] (2R)-2-phenylsulfanylpropanoate Traditional Name: (2R)-2-(phenylthio)propionic acid [2-keto-2-[4-[mesyl(methyl)amino]phenyl]ethyl] ester Formula: C19H21NO5S2 MolecularWeight: 407.50374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C)SC2=CC=CC=C2

Isomeric SMILES

C[C@H](C(=O)OCC(=O)C1=CC=C(C=C1)N(C)S(=O)(=O)C)SC2=CC=CC=C2

InChI

InChI=1S/C19H21NO5S2/c1-14(26-17-7-5-4-6-8-17)19(22)25-13-18(21)15-9-11-16(12-10-15)20(2)27(3,23)24/h4-12,14H,13H2,1-3H3/t14-/m1/s1