methyl 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]propanoate

Systemtic Name: methyl 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]propanoate Openeye Name: methyl 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]benzothiophen-3-yl]propanoate CAS Name: 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]propanoic acid methyl ester IUPAC Name: methyl 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]-1-benzothiophen-3-yl]propanoate Traditional Name: 2-benzamido-3-[2-[4-(trifluoromethyl)phenyl]benzothiophen-3-yl]propionic acid methyl ester Formula: C26H20F3NO3S MolecularWeight: 483.50211

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)NC(=O)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(CC1=C(SC2=CC=CC=C21)C3=CC=C(C=C3)C(F)(F)F)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C26H20F3NO3S/c1-33-25(32)21(30-24(31)17-7-3-2-4-8-17)15-20-19-9-5-6-10-22(19)34-23(20)16-11-13-18(14-12-16)26(27,28)29/h2-14,21H,15H2,1H3,(H,30,31)