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

Systemtic Name: ethyl 2-[2,6,6-trimethyl-3-(4-methyl-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-4-oxidanylidene-5,7-dihydroindol-1-yl]ethanoate Openeye Name: ethyl 2-[2,6,6-trimethyl-3-(4-methyl-2-pyrrolidin-1-ylsulfonyl-phenyl)sulfanyl-4-oxo-5,7-dihydroindol-1-yl]acetate CAS Name: 2-[2,6,6-trimethyl-3-[[4-methyl-2-(1-pyrrolidinylsulfonyl)phenyl]thio]-4-oxo-5,7-dihydroindol-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[2,6,6-trimethyl-3-(4-methyl-2-pyrrolidin-1-ylsulfonylphenyl)sulfanyl-4-oxo-5,7-dihydroindol-1-yl]acetate Traditional Name: 2-[4-keto-2,6,6-trimethyl-3-[(4-methyl-2-pyrrolidinosulfonyl-phenyl)thio]-5,7-dihydroindol-1-yl]acetic acid ethyl ester Formula: C26H34N2O5S2 MolecularWeight: 518.68856

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O5S2/c1-6-33-23(30)16-28-18(3)25(24-19(28)14-26(4,5)15-20(24)29)34-21-10-9-17(2)13-22(21)35(31,32)27-11-7-8-12-27/h9-10,13H,6-8,11-12,14-16H2,1-5H3