tert-butyl 2-cyclopropylcarbonyl-3-(2-methylsulfonyl-3-phenylsulfanyl-phenyl)-3-oxidanylidene-propanoate

Systemtic Name: tert-butyl 2-cyclopropylcarbonyl-3-(2-methylsulfonyl-3-phenylsulfanyl-phenyl)-3-oxidanylidene-propanoate Openeye Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2-methylsulfonyl-3-phenylsulfanyl-phenyl)-3-oxo-propanoate CAS Name: 2-[cyclopropyl(oxo)methyl]-3-[2-methylsulfonyl-3-(phenylthio)phenyl]-3-oxopropanoic acid tert-butyl ester IUPAC Name: tert-butyl 2-(cyclopropanecarbonyl)-3-(2-methylsulfonyl-3-phenylsulfanylphenyl)-3-oxopropanoate Traditional Name: 2-(cyclopropanecarbonyl)-3-keto-3-[2-mesyl-3-(phenylthio)phenyl]propionic acid tert-butyl ester Formula: C24H26O6S2 MolecularWeight: 474.58964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C(=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)C(C(=O)C1CC1)C(=O)C2=C(C(=CC=C2)SC3=CC=CC=C3)S(=O)(=O)C

InChI

InChI=1S/C24H26O6S2/c1-24(2,3)30-23(27)19(20(25)15-13-14-15)21(26)17-11-8-12-18(22(17)32(4,28)29)31-16-9-6-5-7-10-16/h5-12,15,19H,13-14H2,1-4H3