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

Systemtic Name: (E)-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Openeye Name: (E)-N-(2-furylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide CAS Name: (E)-N-(2-furanylmethyl)-N-[4-(methylthio)-1,3-benzothiazol-2-yl]-3-(3-nitrophenyl)-2-propenamide IUPAC Name: (E)-N-(furan-2-ylmethyl)-N-(4-methylsulfanyl-1,3-benzothiazol-2-yl)-3-(3-nitrophenyl)prop-2-enamide Traditional Name: (E)-N-(2-furfuryl)-N-[4-(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=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)C=CC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CSC1=CC=CC2=C1N=C(S2)N(CC3=CC=CO3)C(=O)/C=C/C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O4S2/c1-30-18-8-3-9-19-21(18)23-22(31-19)24(14-17-7-4-12-29-17)20(26)11-10-15-5-2-6-16(13-15)25(27)28/h2-13H,14H2,1H3/b11-10+