2-methyl-3-(5-nitro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)propanoic acid

Systemtic Name: 2-methyl-3-(5-nitro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)propanoic acid Openeye Name: 2-(4-isopropylphenyl)-2-methyl-3-(5-nitrobenzothiophen-2-yl)propanoic acid CAS Name: 2-methyl-3-(5-nitro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)propanoic acid IUPAC Name: 2-methyl-3-(5-nitro-1-benzothiophen-2-yl)-2-(4-propan-2-ylphenyl)propanoic acid Traditional Name: 2-methyl-3-(5-nitrobenzothiophen-2-yl)-2-p-cumenyl-propionic acid Formula: C21H21NO4S MolecularWeight: 383.46074

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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)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C(C)(CC2=CC3=C(S2)C=CC(=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C21H21NO4S/c1-13(2)14-4-6-16(7-5-14)21(3,20(23)24)12-18-11-15-10-17(22(25)26)8-9-19(15)27-18/h4-11,13H,12H2,1-3H3,(H,23,24)