(E)-3-(5-nitrofuran-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide

Systemtic Name: (E)-3-(5-nitrofuran-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Openeye Name: (E)-N-[2-(2-allyloxyethylsulfanyl)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)prop-2-enamide CAS Name: (E)-3-(5-nitro-2-furanyl)-N-[2-(2-prop-2-enoxyethylthio)-1,3-benzothiazol-6-yl]-2-propenamide IUPAC Name: (E)-3-(5-nitrofuran-2-yl)-N-[2-(2-prop-2-enoxyethylsulfanyl)-1,3-benzothiazol-6-yl]prop-2-enamide Traditional Name: (E)-N-[2-(2-allyloxyethylthio)-1,3-benzothiazol-6-yl]-3-(5-nitro-2-furyl)acrylamide Formula: C19H17N3O5S2 MolecularWeight: 431.48538

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C=CCOCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O5S2/c1-2-9-26-10-11-28-19-21-15-6-3-13(12-16(15)29-19)20-17(23)7-4-14-5-8-18(27-14)22(24)25/h2-8,12H,1,9-11H2,(H,20,23)/b7-4+