1,3-benzothiazol-2-ylmethyl (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Openeye Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(2-furylmethylsulfamoyl)phenyl]prop-2-enoate CAS Name: (E)-3-[4-(2-furanylmethylsulfamoyl)phenyl]-2-propenoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl (E)-3-[4-(furan-2-ylmethylsulfamoyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[4-(2-furfurylsulfamoyl)phenyl]acrylic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C22H18N2O5S2 MolecularWeight: 454.51872

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C=CC3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)/C=C/C3=CC=C(C=C3)S(=O)(=O)NCC4=CC=CO4

InChI

InChI=1S/C22H18N2O5S2/c25-22(29-15-21-24-19-5-1-2-6-20(19)30-21)12-9-16-7-10-18(11-8-16)31(26,27)23-14-17-4-3-13-28-17/h1-13,23H,14-15H2/b12-9+