3-(7-benzamido-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid

Systemtic Name: 3-(7-benzamido-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 3-(7-benzamidobenzothiophen-2-yl)-2-(4-isopropylphenyl)-2-methyl-propanoic acid CAS Name: 3-(7-benzamido-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 3-(7-benzamido-1-benzothiophen-2-yl)-2-methyl-2-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 3-(7-benzamidobenzothiophen-2-yl)-2-methyl-2-p-cumenyl-propionic acid Formula: C28H27NO3S MolecularWeight: 457.58388

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C(C)(CC2=CC3=C(S2)C(=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)(CC2=CC3=C(S2)C(=CC=C3)NC(=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C28H27NO3S/c1-18(2)19-12-14-22(15-13-19)28(3,27(31)32)17-23-16-21-10-7-11-24(25(21)33-23)29-26(30)20-8-5-4-6-9-20/h4-16,18H,17H2,1-3H3,(H,29,30)(H,31,32)