3-[3-(2,5-dimethylphenyl)sulfanyl-1-(phenylmethyl)-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-1-(phenylmethyl)-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[1-benzyl-3-(2,5-dimethylphenyl)sulfanyl-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(2,5-dimethylphenyl)thio]-1-(phenylmethyl)-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[1-benzyl-3-(2,5-dimethylphenyl)sulfanyl-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[1-benzyl-3-[(2,5-dimethylphenyl)thio]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid Formula: C31H35NO2S MolecularWeight: 485.6801

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4=CC=CC=C4)CC(C)(C)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)SC2=C(N(C3=C2C=C(C=C3)C(C)C)CC4=CC=CC=C4)CC(C)(C)C(=O)O

InChI

InChI=1S/C31H35NO2S/c1-20(2)24-14-15-26-25(17-24)29(35-28-16-21(3)12-13-22(28)4)27(18-31(5,6)30(33)34)32(26)19-23-10-8-7-9-11-23/h7-17,20H,18-19H2,1-6H3,(H,33,34)