(2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-cyclopentyl-2-thiophen-2-yl-ethanamide

Systemtic Name: (2S)-2-[2-(benzotriazol-1-yl)ethanoyl-(3-fluorophenyl)amino]-N-cyclopentyl-2-thiophen-2-yl-ethanamide Openeye Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-cyclopentyl-2-(2-thienyl)acetamide CAS Name: (2S)-2-(N-[2-(1-benzotriazolyl)-1-oxoethyl]-3-fluoroanilino)-N-cyclopentyl-2-thiophen-2-ylacetamide IUPAC Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoroanilino)-N-cyclopentyl-2-thiophen-2-ylacetamide Traditional Name: (2S)-2-(N-[2-(benzotriazol-1-yl)acetyl]-3-fluoro-anilino)-N-cyclopentyl-2-(2-thienyl)acetamide Formula: C25H24FN5O2S MolecularWeight: 477.553763

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC(=O)C(C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

Isomeric SMILES

C1CCC(C1)NC(=O)[C@@H](C2=CC=CS2)N(C3=CC(=CC=C3)F)C(=O)CN4C5=CC=CC=C5N=N4

InChI

InChI=1S/C25H24FN5O2S/c26-17-7-5-10-19(15-17)31(23(32)16-30-21-12-4-3-11-20(21)28-29-30)24(22-13-6-14-34-22)25(33)27-18-8-1-2-9-18/h3-7,10-15,18,24H,1-2,8-9,16H2,(H,27,33)/t24-/m1/s1