(E)-N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-furylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-furanylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(furan-2-ylmethyl)-N-(4-methylsulfonyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-furfuryl)-N-(4-mesyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)acrylamide Formula: C22H17N3O6S2 MolecularWeight: 483.51688

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6S2/c1-33(29,30)19-9-3-8-18-21(19)23-22(32-18)24(14-17-7-4-12-31-17)20(26)11-10-15-5-2-6-16(13-15)25(27)28/h2-13H,14H2,1H3/b11-10+