ethyl 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]benzothiophene-2-carboxylate CAS Name: 3-butyl-7-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 3-butyl-7-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate Traditional Name: 3-butyl-7-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OCC

Isomeric SMILES

CCCCC1=C(SC2=C1C=CC=C2NCC3=CN=CN3CC4=CC=C(C=C4)C#N)C(=O)OCC

InChI

InChI=1S/C27H28N4O2S/c1-3-5-7-23-22-8-6-9-24(25(22)34-26(23)27(32)33-4-2)30-16-21-15-29-18-31(21)17-20-12-10-19(14-28)11-13-20/h6,8-13,15,18,30H,3-5,7,16-17H2,1-2H3