[(1S)-5,5-dimethyl-2-methylsulfanyl-cyclopent-2-en-1-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate

Systemtic Name: [(1S)-5,5-dimethyl-2-methylsulfanyl-cyclopent-2-en-1-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenyl-propanoate Openeye Name: [(1S)-5,5-dimethyl-2-methylsulfanyl-cyclopent-2-en-1-yl] (2S)-3-phenyl-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoic acid [(1S)-5,5-dimethyl-2-(methylthio)-1-cyclopent-2-enyl] ester IUPAC Name: [(1S)-5,5-dimethyl-2-methylsulfanylcyclopent-2-en-1-yl] (2S)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanoate Traditional Name: (2S)-3-phenyl-2-(tosylamino)propionic acid [(1S)-5,5-dimethyl-2-(methylthio)cyclopent-2-en-1-yl] ester Formula: C24H29NO4S2 MolecularWeight: 459.62136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=CC=C2)C(=O)OC3C(=CCC3(C)C)SC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](CC2=CC=CC=C2)C(=O)O[C@@H]3C(=CCC3(C)C)SC

InChI

InChI=1S/C24H29NO4S2/c1-17-10-12-19(13-11-17)31(27,28)25-20(16-18-8-6-5-7-9-18)23(26)29-22-21(30-4)14-15-24(22,2)3/h5-14,20,22,25H,15-16H2,1-4H3/t20-,22+/m0/s1