(E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide

Systemtic Name: (E)-N-(6-bromanyl-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furylmethyl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furanylmethyl)-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(furan-2-ylmethyl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(6-bromo-1,3-benzothiazol-2-yl)-N-(2-furfuryl)-3-(3-nitrophenyl)acrylamide Formula: C21H14BrN3O4S MolecularWeight: 484.32256

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])/C=C/C(=O)N(CC2=CC=CO2)C3=NC4=C(S3)C=C(C=C4)Br

InChI

InChI=1S/C21H14BrN3O4S/c22-15-7-8-18-19(12-15)30-21(23-18)24(13-17-5-2-10-29-17)20(26)9-6-14-3-1-4-16(11-14)25(27)28/h1-12H,13H2/b9-6+