tert-butyl 3-[(5-chloranyl-2-benzothiophen-1-yl)sulfonyl]propanoate

Systemtic Name: tert-butyl 3-[(5-chloranyl-2-benzothiophen-1-yl)sulfonyl]propanoate Openeye Name: tert-butyl 3-[(5-chloro-2-benzothiophen-1-yl)sulfonyl]propanoate CAS Name: 3-[(5-chloro-2-benzothiophen-1-yl)sulfonyl]propanoic acid tert-butyl ester IUPAC Name: tert-butyl 3-[(5-chloro-2-benzothiophen-1-yl)sulfonyl]propanoate Traditional Name: 3-(5-chloroisobenzothiophen-1-yl)sulfonylpropionic acid tert-butyl ester Formula: C15H17ClO4S2 MolecularWeight: 360.87608

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CCS(=O)(=O)C1=C2C=CC(=CC2=CS1)Cl

Isomeric SMILES

CC(C)(C)OC(=O)CCS(=O)(=O)C1=C2C=CC(=CC2=CS1)Cl

InChI

InChI=1S/C15H17ClO4S2/c1-15(2,3)20-13(17)6-7-22(18,19)14-12-5-4-11(16)8-10(12)9-21-14/h4-5,8-9H,6-7H2,1-3H3