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

Systemtic Name: tert-butyl 3-[4-[2-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxidanylidene-propyl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[2-(5-cyanobenzothiophen-2-yl)-3-ethoxy-3-oxo-propyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[2-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxopropyl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[2-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxopropyl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[2-(5-cyanobenzothiophen-2-yl)-3-ethoxy-3-keto-propyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H32N2O5S MolecularWeight: 520.63978

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=C(C=C1)OC2CCN(C2)C(=O)OC(C)(C)C)C3=CC4=C(S3)C=CC(=C4)C#N

Isomeric SMILES

CCOC(=O)C(CC1=CC=C(C=C1)OC2CCN(C2)C(=O)OC(C)(C)C)C3=CC4=C(S3)C=CC(=C4)C#N

InChI

InChI=1S/C29H32N2O5S/c1-5-34-27(32)24(26-16-21-14-20(17-30)8-11-25(21)37-26)15-19-6-9-22(10-7-19)35-23-12-13-31(18-23)28(33)36-29(2,3)4/h6-11,14,16,23-24H,5,12-13,15,18H2,1-4H3