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

Systemtic Name: ethyl 5-[(3S)-4-(4-methylphenyl)sulfonyloxy-3-oxidanyl-butyl]thiophene-2-carboxylate Openeye Name: ethyl 5-[(3S)-3-hydroxy-4-(p-tolylsulfonyloxy)butyl]thiophene-2-carboxylate CAS Name: 5-[(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[(3S)-3-hydroxy-4-(4-methylphenyl)sulfonyloxybutyl]thiophene-2-carboxylate Traditional Name: 5-[(3S)-3-hydroxy-4-tosyloxy-butyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H22O6S2 MolecularWeight: 398.49368

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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

Isomeric SMILES

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

InChI

InChI=1S/C18H22O6S2/c1-3-23-18(20)17-11-8-15(25-17)7-6-14(19)12-24-26(21,22)16-9-4-13(2)5-10-16/h4-5,8-11,14,19H,3,6-7,12H2,1-2H3/t14-/m0/s1