ethyl 4-methyl-5-[(3S)-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl]thiophene-2-carboxylate

Systemtic Name: ethyl 4-methyl-5-[(3S)-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3S)-3-hydroxy-4-(p-tolylsulfonyloxy)butyl]-4-methyl-thiophene-2-carboxylate CAS Name: 5-[(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]-4-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]-4-methylthiophene-2-carboxylate Traditional Name: 5-[(3S)-3-hydroxy-4-tosyloxy-butyl]-4-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C19H24O6S2 MolecularWeight: 412.52026

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)CCC(COS(=O)(=O)C2=CC=C(C=C2)C)O)C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)CC[C@@H](COS(=O)(=O)C2=CC=C(C=C2)C)O)C

InChI

InChI=1S/C19H24O6S2/c1-4-24-19(21)18-11-14(3)17(26-18)10-7-15(20)12-25-27(22,23)16-8-5-13(2)6-9-16/h5-6,8-9,11,15,20H,4,7,10,12H2,1-3H3/t15-/m0/s1