2-cyano-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]ethanoic acid

Systemtic Name: 2-cyano-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]ethanoic acid Openeye Name: 2-[1-tert-butoxycarbonyl-4-(4-methylsulfanylphenyl)-4-piperidyl]-2-cyano-acetic acid CAS Name: 2-cyano-2-[1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-[4-(methylthio)phenyl]-4-piperidinyl]acetic acid IUPAC Name: 2-cyano-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]-4-(4-methylsulfanylphenyl)piperidin-4-yl]acetic acid Traditional Name: 2-[1-tert-butoxycarbonyl-4-[4-(methylthio)phenyl]-4-piperidyl]-2-cyano-acetic acid Formula: C20H26N2O4S MolecularWeight: 390.49644

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)SC)C(C#N)C(=O)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)(C2=CC=C(C=C2)SC)C(C#N)C(=O)O

InChI

InChI=1S/C20H26N2O4S/c1-19(2,3)26-18(25)22-11-9-20(10-12-22,16(13-21)17(23)24)14-5-7-15(27-4)8-6-14/h5-8,16H,9-12H2,1-4H3,(H,23,24)