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

Systemtic Name: tert-butyl 4-[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxidanylidene-propan-2-yl]phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-oxo-ethyl]phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[3-(5-cyano-1-benzothiophen-2-yl)-1-ethoxy-1-oxopropan-2-yl]phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-[1-[(5-cyanobenzothiophen-2-yl)methyl]-2-ethoxy-2-keto-ethyl]phenoxy]piperidine-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)OC4CCN(CC4)C(=O)OC(C)(C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CCN(CC4)C(=O)OC(C)(C)C

InChI

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