3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-isopropyl-1-(2-thienylmethyl)indol-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[3-(tert-butylthio)-5-propan-2-yl-1-(thiophen-2-ylmethyl)-2-indolyl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-isopropyl-1-(2-thenyl)indol-2-yl]-2,2-dimethyl-propionic acid Formula: C25H33NO2S2 MolecularWeight: 443.66502

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=CS3

Isomeric SMILES

CC(C)C1=CC2=C(C=C1)N(C(=C2SC(C)(C)C)CC(C)(C)C(=O)O)CC3=CC=CS3

InChI

InChI=1S/C25H33NO2S2/c1-16(2)17-10-11-20-19(13-17)22(30-24(3,4)5)21(14-25(6,7)23(27)28)26(20)15-18-9-8-12-29-18/h8-13,16H,14-15H2,1-7H3,(H,27,28)