(4-oxidanylidene-4-thiophen-2-yl-butyl) 2-chloranyl-5-methylsulfonyl-benzoate

Systemtic Name: (4-oxidanylidene-4-thiophen-2-yl-butyl) 2-chloranyl-5-methylsulfonyl-benzoate Openeye Name: [4-oxo-4-(2-thienyl)butyl] 2-chloro-5-methylsulfonyl-benzoate CAS Name: 2-chloro-5-methylsulfonylbenzoic acid (4-oxo-4-thiophen-2-ylbutyl) ester IUPAC Name: (4-oxo-4-thiophen-2-ylbutyl) 2-chloro-5-methylsulfonylbenzoate Traditional Name: 2-chloro-5-mesyl-benzoic acid [4-keto-4-(2-thienyl)butyl] ester Formula: C16H15ClO5S2 MolecularWeight: 386.8703

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCCC(=O)C2=CC=CS2

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)OCCCC(=O)C2=CC=CS2

InChI

InChI=1S/C16H15ClO5S2/c1-24(20,21)11-6-7-13(17)12(10-11)16(19)22-8-2-4-14(18)15-5-3-9-23-15/h3,5-7,9-10H,2,4,8H2,1H3