ethyl 3-[3-tert-butylsulfinyl-1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate

Systemtic Name: ethyl 3-[3-tert-butylsulfinyl-1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]-5-oxidanyl-indol-2-yl]-2,2-dimethyl-propanoate Openeye Name: ethyl 3-[3-tert-butylsulfinyl-5-hydroxy-1-[[4-(6-methoxy-3-pyridyl)phenyl]methyl]indol-2-yl]-2,2-dimethyl-propanoate CAS Name: 3-[3-tert-butylsulfinyl-5-hydroxy-1-[[4-(6-methoxy-3-pyridinyl)phenyl]methyl]-2-indolyl]-2,2-dimethylpropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-tert-butylsulfinyl-5-hydroxy-1-[[4-(6-methoxypyridin-3-yl)phenyl]methyl]indol-2-yl]-2,2-dimethylpropanoate Traditional Name: 3-[3-tert-butylsulfinyl-5-hydroxy-1-[4-(6-methoxy-3-pyridyl)benzyl]indol-2-yl]-2,2-dimethyl-propionic acid ethyl ester Formula: C32H38N2O5S MolecularWeight: 562.71952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CN=C(C=C4)OC)C=CC(=C2)O)S(=O)C(C)(C)C

Isomeric SMILES

CCOC(=O)C(C)(C)CC1=C(C2=C(N1CC3=CC=C(C=C3)C4=CN=C(C=C4)OC)C=CC(=C2)O)S(=O)C(C)(C)C

InChI

InChI=1S/C32H38N2O5S/c1-8-39-30(36)32(5,6)18-27-29(40(37)31(2,3)4)25-17-24(35)14-15-26(25)34(27)20-21-9-11-22(12-10-21)23-13-16-28(38-7)33-19-23/h9-17,19,35H,8,18,20H2,1-7H3