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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)CC(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C30H34N2O5S/c1-5-35-28(33)17-22(15-26-16-23-14-20(18-31)6-11-27(23)38-26)21-7-9-24(10-8-21)36-25-12-13-32(19-25)29(34)37-30(2,3)4/h6-11,14,16,22,25H,5,12-13,15,17,19H2,1-4H3