3-[3-(cyclopropylmethylsulfanyl)-4,6-dimethyl-5-propan-2-yl-1H-indol-2-yl]propanoic acid

Systemtic Name: 3-[3-(cyclopropylmethylsulfanyl)-4,6-dimethyl-5-propan-2-yl-1H-indol-2-yl]propanoic acid Openeye Name: 3-[3-(cyclopropylmethylsulfanyl)-5-isopropyl-4,6-dimethyl-1H-indol-2-yl]propanoic acid CAS Name: 3-[3-(cyclopropylmethylthio)-4,6-dimethyl-5-propan-2-yl-1H-indol-2-yl]propanoic acid IUPAC Name: 3-[3-(cyclopropylmethylsulfanyl)-4,6-dimethyl-5-propan-2-yl-1H-indol-2-yl]propanoic acid Traditional Name: 3-[3-(cyclopropylmethylthio)-5-isopropyl-4,6-dimethyl-1H-indol-2-yl]propionic acid Formula: C20H27NO2S MolecularWeight: 345.49888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2)CCC(=O)O)SCC3CC3

Isomeric SMILES

CC1=CC2=C(C(=C1C(C)C)C)C(=C(N2)CCC(=O)O)SCC3CC3

InChI

InChI=1S/C20H27NO2S/c1-11(2)18-12(3)9-16-19(13(18)4)20(24-10-14-5-6-14)15(21-16)7-8-17(22)23/h9,11,14,21H,5-8,10H2,1-4H3,(H,22,23)