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

Systemtic Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-thienylmethyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-N-(thiophen-2-ylmethyl)-2-propenamide IUPAC Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-N-(thiophen-2-ylmethyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-thenyl)acrylamide Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)C=C(C#N)C(=O)NCC3=CC=CS3

Isomeric SMILES

CC1=CC(=C(N1C2=CC=C(C=C2)OC)C)/C=C(\C#N)/C(=O)NCC3=CC=CS3

InChI

InChI=1S/C22H21N3O2S/c1-15-11-17(16(2)25(15)19-6-8-20(27-3)9-7-19)12-18(13-23)22(26)24-14-21-5-4-10-28-21/h4-12H,14H2,1-3H3,(H,24,26)/b18-12+