ethyl 3-[3-tert-butylsulfanyl-1-[oxidanyl(propylcarbamoyl)amino]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[3-tert-butylsulfanyl-1-[oxidanyl(propylcarbamoyl)amino]-5-propan-2-yl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfanyl-1-[hydroxy(propylcarbamoyl)amino]-5-isopropyl-indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-(tert-butylthio)-1-[hydroxy-[oxo(propylamino)methyl]amino]-5-propan-2-yl-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfanyl-1-[hydroxy(propylcarbamoyl)amino]-5-propan-2-ylindol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-(tert-butylthio)-1-[hydroxy(propylcarbamoyl)amino]-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:

CCCNC(=O)N(N1C2=C(C=C(C=C2)C(C)C)C(=C1CC(C)(C)C(=O)OCC)SC(C)(C)C)O

Isomeric SMILES

CCCNC(=O)N(N1C2=C(C=C(C=C2)C(C)C)C(=C1CC(C)(C)C(=O)OCC)SC(C)(C)C)O

InChI

InChI=1S/C26H41N3O4S/c1-10-14-27-24(31)29(32)28-20-13-12-18(17(3)4)15-19(20)22(34-25(5,6)7)21(28)16-26(8,9)23(30)33-11-2/h12-13,15,17,32H,10-11,14,16H2,1-9H3,(H,27,31)