ethyl 3-[3-tert-butylsulfanyl-1-[3-(oxidanylcarbamoylamino)propyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-1-[3-(oxidanylcarbamoylamino)propyl]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-1-[3-(hydroxycarbamoylamino)propyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[3-[[(hydroxyamino)-oxomethyl]amino]propyl]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-1-[3-(hydroxycarbamoylamino)propyl]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-[3-(hydroxycarbamoylamino)propyl]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C26H41N3O4S MolecularWeight: 491.68644

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CCCNC(=O)NO)C=CC(=C2)C(C)C)SC(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CCCNC(=O)NO)C=CC(=C2)C(C)C)SC(C)(C)C

InChI

InChI=1S/C26H41N3O4S/c1-9-33-23(30)26(7,8)16-21-22(34-25(4,5)6)19-15-18(17(2)3)11-12-20(19)29(21)14-10-13-27-24(31)28-32/h11-12,15,17,32H,9-10,13-14,16H2,1-8H3,(H2,27,28,31)