(E)-N-[5-(4-tert-butylphenyl)thiophen-2-yl]-4-pyrrolidin-3-yl-but-2-enamide

Systemtic Name: (E)-N-[5-(4-tert-butylphenyl)thiophen-2-yl]-4-pyrrolidin-3-yl-but-2-enamide Openeye Name: (E)-N-[5-(4-tert-butylphenyl)-2-thienyl]-4-pyrrolidin-3-yl-but-2-enamide CAS Name: (E)-N-[5-(4-tert-butylphenyl)-2-thiophenyl]-4-(3-pyrrolidinyl)-2-butenamide IUPAC Name: (E)-N-[5-(4-tert-butylphenyl)thiophen-2-yl]-4-pyrrolidin-3-ylbut-2-enamide Traditional Name: (E)-N-[5-(4-tert-butylphenyl)-2-thienyl]-4-pyrrolidin-3-yl-but-2-enamide Formula: C22H28N2OS MolecularWeight: 368.53552

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(S2)NC(=O)C=CCC3CCNC3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=CC=C(S2)NC(=O)/C=C/CC3CCNC3

InChI

InChI=1S/C22H28N2OS/c1-22(2,3)18-9-7-17(8-10-18)19-11-12-21(26-19)24-20(25)6-4-5-16-13-14-23-15-16/h4,6-12,16,23H,5,13-15H2,1-3H3,(H,24,25)/b6-4+