(E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitrophenyl)pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[2,5-dimethyl-1-(2-methyl-4-nitro-phenyl)pyrrol-3-yl]-N-(2-thenyl)acrylamide Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)C=C(C#N)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=C(C=C(C=C2)[N+](=O)[O-])C)C)/C=C(\C#N)/C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H20N4O3S/c1-14-9-19(26(28)29)6-7-21(14)25-15(2)10-17(16(25)3)11-18(12-23)22(27)24-13-20-5-4-8-30-20/h4-11H,13H2,1-3H3,(H,24,27)/b18-11+