3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2-methyl-butanoic acid

Systemtic Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2-methyl-butanoic acid Openeye Name: 3-[3-tert-butylsulfanyl-5-isopropyl-1-(2-thienylmethyl)indol-2-yl]-2-methyl-butanoic acid CAS Name: 3-[3-(tert-butylthio)-5-propan-2-yl-1-(thiophen-2-ylmethyl)-2-indolyl]-2-methylbutanoic acid IUPAC Name: 3-[3-tert-butylsulfanyl-5-propan-2-yl-1-(thiophen-2-ylmethyl)indol-2-yl]-2-methylbutanoic acid Traditional Name: 3-[3-(tert-butylthio)-5-isopropyl-1-(2-thenyl)indol-2-yl]-2-methyl-butyric 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)C(C)C(C)C(=O)O)CC3=CC=CS3

Isomeric SMILES

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

InChI

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