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

Systemtic Name: tert-butyl 3-[4-[(Z)-1-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxidanylidene-prop-1-en-2-yl]phenoxy]pyrrolidine-1-carboxylate Openeye Name: tert-butyl 3-[4-[(Z)-2-(5-cyanobenzothiophen-2-yl)-1-ethoxycarbonyl-vinyl]phenoxy]pyrrolidine-1-carboxylate CAS Name: 3-[4-[(Z)-1-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxoprop-1-en-2-yl]phenoxy]-1-pyrrolidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-[4-[(Z)-1-(5-cyano-1-benzothiophen-2-yl)-3-ethoxy-3-oxoprop-1-en-2-yl]phenoxy]pyrrolidine-1-carboxylate Traditional Name: 3-[4-[(Z)-1-carbethoxy-2-(5-cyanobenzothiophen-2-yl)vinyl]phenoxy]pyrrolidine-1-carboxylic acid tert-butyl ester Formula: C29H30N2O5S MolecularWeight: 518.6239

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=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)/C(=C\C1=CC2=C(S1)C=CC(=C2)C#N)/C3=CC=C(C=C3)OC4CCN(C4)C(=O)OC(C)(C)C

InChI

InChI=1S/C29H30N2O5S/c1-5-34-27(32)25(16-24-15-21-14-19(17-30)6-11-26(21)37-24)20-7-9-22(10-8-20)35-23-12-13-31(18-23)28(33)36-29(2,3)4/h6-11,14-16,23H,5,12-13,18H2,1-4H3/b25-16-