tert-butyl 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]methyl]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]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 2-[[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]methyl]pyrrolidine-1-carboxylate CAS Name: 2-[[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]methyl]-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]pyrrolidine-1-carboxylate Traditional Name: 2-[[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]methyl]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C30H34N2O5S MolecularWeight: 534.66636

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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)OCC4CCCN4C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OCC4CCCN4C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N2O5S/c1-5-35-28(33)26(17-25-16-22-15-20(18-31)8-13-27(22)38-25)21-9-11-24(12-10-21)36-19-23-7-6-14-32(23)29(34)37-30(2,3)4/h8-13,15-16,23,26H,5-7,14,17,19H2,1-4H3