2-ethanoylsulfanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]butanoic acid

Systemtic Name: 2-ethanoylsulfanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]butanoic acid Openeye Name: 2-acetylsulfanyl-4-(4-tert-butoxycarbonylphenyl)butanoic acid CAS Name: 2-(acetylthio)-4-[4-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]butanoic acid IUPAC Name: 2-acetylsulfanyl-4-[4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]butanoic acid Traditional Name: 2-(acetylthio)-4-(4-tert-butoxycarbonylphenyl)butyric acid Formula: C17H22O5S MolecularWeight: 338.41858

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)SC(CCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(=O)O

Isomeric SMILES

CC(=O)SC(CCC1=CC=C(C=C1)C(=O)OC(C)(C)C)C(=O)O

InChI

InChI=1S/C17H22O5S/c1-11(18)23-14(15(19)20)10-7-12-5-8-13(9-6-12)16(21)22-17(2,3)4/h5-6,8-9,14H,7,10H2,1-4H3,(H,19,20)