2-[[(E)-3-fluoranyl-3-phenyl-prop-2-enoyl]amino]-5-(phenylmethyl)thiophene-3-carboxamide

Systemtic Name: 2-[[(E)-3-fluoranyl-3-phenyl-prop-2-enoyl]amino]-5-(phenylmethyl)thiophene-3-carboxamide Openeye Name: 5-benzyl-2-[[(E)-3-fluoro-3-phenyl-prop-2-enoyl]amino]thiophene-3-carboxamide CAS Name: 2-[[(E)-3-fluoro-1-oxo-3-phenylprop-2-enyl]amino]-5-(phenylmethyl)-3-thiophenecarboxamide IUPAC Name: 5-benzyl-2-[[(E)-3-fluoro-3-phenylprop-2-enoyl]amino]thiophene-3-carboxamide Traditional Name: 5-benzyl-2-[[(E)-3-fluoro-3-phenyl-acryloyl]amino]thiophene-3-carboxamide Formula: C21H17FN2O2S MolecularWeight: 380.435283

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)C=C(C3=CC=CC=C3)F)C(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(S2)NC(=O)/C=C(\C3=CC=CC=C3)/F)C(=O)N

InChI

InChI=1S/C21H17FN2O2S/c22-18(15-9-5-2-6-10-15)13-19(25)24-21-17(20(23)26)12-16(27-21)11-14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H2,23,26)(H,24,25)/b18-13+