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

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

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)OC4CC(N(C4)C(=O)OC(C)(C)C)C

Isomeric SMILES

CCOC(=O)C(CC1=CC2=C(S1)C=CC(=C2)C#N)C3=CC=C(C=C3)OC4CC(N(C4)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C30H34N2O5S/c1-6-35-28(33)26(16-25-15-22-14-20(17-31)7-12-27(22)38-25)21-8-10-23(11-9-21)36-24-13-19(2)32(18-24)29(34)37-30(3,4)5/h7-12,14-15,19,24,26H,6,13,16,18H2,1-5H3