ethyl 2-[3-(4-bromanyl-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl]ethanoate

Systemtic Name: ethyl 2-[3-(4-bromanyl-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-2,6,6-trimethyl-4-oxidanylidene-5,7-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-bromo-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl]acetate CAS Name: 2-[3-[[4-bromo-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-bromo-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-2,6,6-trimethyl-4-oxo-5,7-dihydroindol-1-yl]acetate Traditional Name: 2-[3-[(4-bromo-2-pyrrolidinosulfonyl-phenyl)thio]-4-keto-2,6,6-trimethyl-5,7-dihydroindol-1-yl]acetic acid ethyl ester Formula: C25H31BrN2O5S2 MolecularWeight: 583.55804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C2=C1CC(CC2=O)(C)C)SC3=C(C=C(C=C3)Br)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CCOC(=O)CN1C(=C(C2=C1CC(CC2=O)(C)C)SC3=C(C=C(C=C3)Br)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C25H31BrN2O5S2/c1-5-33-22(30)15-28-16(2)24(23-18(28)13-25(3,4)14-19(23)29)34-20-9-8-17(26)12-21(20)35(31,32)27-10-6-7-11-27/h8-9,12H,5-7,10-11,13-15H2,1-4H3