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

Systemtic Name: (E)-N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-furylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-furanylmethyl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(furan-2-ylmethyl)-N-(6-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-furfuryl)-N-[6-(methylthio)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)acrylamide Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC2=C(C=C1)N=C(S2)N(CC3=CC=CO3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S2/c1-30-18-8-9-19-20(13-18)31-22(23-19)24(14-17-6-3-11-29-17)21(26)10-7-15-4-2-5-16(12-15)25(27)28/h2-13H,14H2,1H3/b10-7+