3-[3-(2,5-dimethylphenyl)sulfanyl-1-[(4-ethenylphenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-1-[(4-ethenylphenyl)methyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-5-isopropyl-1-[(4-vinylphenyl)methyl]indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-[(2,5-dimethylphenyl)thio]-1-[(4-ethenylphenyl)methyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-(2,5-dimethylphenyl)sulfanyl-1-[(4-ethenylphenyl)methyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-[(2,5-dimethylphenyl)thio]-5-isopropyl-1-(4-vinylbenzyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C33H37NO2S MolecularWeight: 511.71738

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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=C(C=C4)C=C)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=C(C=C4)C=C)CC(C)(C)C(=O)O

InChI

InChI=1S/C33H37NO2S/c1-8-24-11-13-25(14-12-24)20-34-28-16-15-26(21(2)3)18-27(28)31(29(34)19-33(6,7)32(35)36)37-30-17-22(4)9-10-23(30)5/h8-18,21H,1,19-20H2,2-7H3,(H,35,36)