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

Systemtic Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methylsulfanyl-phenyl]propanoate Openeye Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methylsulfanyl-phenyl]propanoate CAS Name: 3-[4-[[(4-cyanoanilino)-oxomethyl]-(2-methylsulfonyloxyethyl)amino]-3-(methylthio)phenyl]propanoic acid methyl ester IUPAC Name: methyl 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-methylsulfanylphenyl]propanoate Traditional Name: 3-[4-[(4-cyanophenyl)carbamoyl-(2-methylsulfonyloxyethyl)amino]-3-(methylthio)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=C(C=C2)C#N)SC

Isomeric SMILES

COC(=O)CCC1=CC(=C(C=C1)N(CCOS(=O)(=O)C)C(=O)NC2=CC=C(C=C2)C#N)SC

InChI

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