(E)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide

Systemtic Name: (E)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-thiophen-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide Openeye Name: (E)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thienyl]-3-(5-nitro-2-thienyl)prop-2-enamide CAS Name: (E)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methyl-2-thiophenyl]-3-(5-nitro-2-thiophenyl)-2-propenamide IUPAC Name: (E)-N-[5-(1,3-benzodioxol-5-ylmethyl)-3-cyano-4-methylthiophen-2-yl]-3-(5-nitrothiophen-2-yl)prop-2-enamide Traditional Name: (E)-N-(3-cyano-4-methyl-5-piperonyl-2-thienyl)-3-(5-nitro-2-thienyl)acrylamide Formula: C21H15N3O5S2 MolecularWeight: 453.4909

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)C=CC2=CC=C(S2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)/C=C/C2=CC=C(S2)[N+](=O)[O-])CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H15N3O5S2/c1-12-15(10-22)21(23-19(25)6-3-14-4-7-20(30-14)24(26)27)31-18(12)9-13-2-5-16-17(8-13)29-11-28-16/h2-8H,9,11H2,1H3,(H,23,25)/b6-3+