ethyl (1S,2R)-2-chloranyl-2-(4-methylphenyl)sulfinyl-1-phenethyl-cyclopropane-1-carboxylate

Systemtic Name: ethyl (1S,2R)-2-chloranyl-2-(4-methylphenyl)sulfinyl-1-phenethyl-cyclopropane-1-carboxylate Openeye Name: ethyl (1S,2R)-2-chloro-1-phenethyl-2-(p-tolylsulfinyl)cyclopropanecarboxylate CAS Name: (1S,2R)-2-chloro-2-(4-methylphenyl)sulfinyl-1-phenethyl-1-cyclopropanecarboxylic acid ethyl ester IUPAC Name: ethyl (1S,2R)-2-chloro-2-(4-methylphenyl)sulfinyl-1-phenethylcyclopropane-1-carboxylate Traditional Name: (1S,2R)-2-chloro-1-phenethyl-2-(p-tolylsulfinyl)cyclopropanecarboxylic acid ethyl ester Formula: C21H23ClO3S MolecularWeight: 390.92352

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC1(S(=O)C2=CC=C(C=C2)C)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(C[C@@]1(S(=O)C2=CC=C(C=C2)C)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C21H23ClO3S/c1-3-25-19(23)20(14-13-17-7-5-4-6-8-17)15-21(20,22)26(24)18-11-9-16(2)10-12-18/h4-12H,3,13-15H2,1-2H3/t20-,21-,26?/m0/s1