tert-butyl 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]methyl]-5-oxidanylidene-pyrrolidine-1-carboxylate

Systemtic Name: tert-butyl 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]methyl]-5-oxidanylidene-pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]methyl]-5-oxo-pyrrolidine-1-carboxylate CAS Name: 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]methyl]-5-oxo-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]methyl]-5-oxopyrrolidine-1-carboxylate Traditional Name: 2-[[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]methyl]-5-keto-pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H32N2O6S MolecularWeight: 548.64988

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OCC4CCC(=O)N4C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OCC4CCC(=O)N4C(=O)OC(C)(C)C

InChI

InChI=1S/C30H32N2O6S/c1-5-36-28(34)25(16-24-15-21-14-19(17-31)6-12-26(21)39-24)20-7-10-23(11-8-20)37-18-22-9-13-27(33)32(22)29(35)38-30(2,3)4/h6-8,10-12,14-15,22,25H,5,9,13,16,18H2,1-4H3