methyl 3-[4-[(3-cyano-2-methylsulfanyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate

Systemtic Name: methyl 3-[4-[(3-cyano-2-methylsulfanyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Openeye Name: methyl 3-[4-[(3-cyano-2-methylsulfanyl-phenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate CAS Name: 3-[4-[[[3-cyano-2-(methylthio)anilino]-oxomethyl]-(2-methylsulfonyloxyethyl)amino]phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(3-cyano-2-methylsulfanylphenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propanoate Traditional Name: 3-[4-[[3-cyano-2-(methylthio)phenyl]carbamoyl-(2-methylsulfonyloxyethyl)amino]phenyl]propionic acid methyl ester Formula: C22H25N3O6S2 MolecularWeight: 491.5804

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=CC(=C2SC)C#N

Isomeric SMILES

COC(=O)CCC1=CC=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=CC(=C2SC)C#N

InChI

InChI=1S/C22H25N3O6S2/c1-30-20(26)12-9-16-7-10-18(11-8-16)25(13-14-31-33(3,28)29)22(27)24-19-6-4-5-17(15-23)21(19)32-2/h4-8,10-11H,9,12-14H2,1-3H3,(H,24,27)