(3-chloranyl-1-benzothiophen-2-yl)methyl 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: (3-chloranyl-1-benzothiophen-2-yl)methyl 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: (3-chlorobenzothiophen-2-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid (3-chloro-1-benzothiophen-2-yl)methyl ester IUPAC Name: (3-chloro-1-benzothiophen-2-yl)methyl 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid (3-chlorobenzothiophen-2-yl)methyl ester Formula: C21H15ClO5S2 MolecularWeight: 446.9238

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC=C2)C(=O)OCC3=C(C4=CC=CC=C4S3)Cl

InChI

InChI=1S/C21H15ClO5S2/c22-19-16-8-4-5-9-17(16)28-18(19)12-27-21(23)20-14(10-11-26-20)13-29(24,25)15-6-2-1-3-7-15/h1-11H,12-13H2