1,3-benzothiazol-2-ylmethyl 3-(phenylsulfonylmethyl)furan-2-carboxylate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 3-(phenylsulfonylmethyl)furan-2-carboxylate Openeye Name: 1,3-benzothiazol-2-ylmethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate CAS Name: 3-(benzenesulfonylmethyl)-2-furancarboxylic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 3-(benzenesulfonylmethyl)furan-2-carboxylate Traditional Name: 3-(besylmethyl)furan-2-carboxylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C20H15NO5S2 MolecularWeight: 413.4668

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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=NC4=CC=CC=C4S3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)CC2=C(OC=C2)C(=O)OCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C20H15NO5S2/c22-20(26-12-18-21-16-8-4-5-9-17(16)27-18)19-14(10-11-25-19)13-28(23,24)15-6-2-1-3-7-15/h1-11H,12-13H2