2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide

Systemtic Name: 2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Openeye Name: 2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide CAS Name: 2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethyl-3-pyrrolyl]-N-(4-fluorophenyl)-2-propenamide IUPAC Name: 2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2,5-dimethylpyrrol-3-yl]-N-(4-fluorophenyl)prop-2-enamide Traditional Name: 2-cyano-3-[1-(3-cyano-4,5,6,7-tetrahydrobenzothiophen-2-yl)-2,5-dimethyl-pyrrol-3-yl]-N-(4-fluorophenyl)acrylamide Formula: C25H21FN4OS MolecularWeight: 444.523843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

Isomeric SMILES

CC1=CC(=C(N1C2=C(C3=C(S2)CCCC3)C#N)C)C=C(C#N)C(=O)NC4=CC=C(C=C4)F

InChI

InChI=1S/C25H21FN4OS/c1-15-11-17(12-18(13-27)24(31)29-20-9-7-19(26)8-10-20)16(2)30(15)25-22(14-28)21-5-3-4-6-23(21)32-25/h7-12H,3-6H2,1-2H3,(H,29,31)