ethyl 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate

Systemtic Name: ethyl 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate Openeye Name: ethyl 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]benzothiophene-2-carboxylate CAS Name: 5-[[3-[(4-cyanophenyl)methyl]-4-imidazolyl]methylamino]-1-benzothiophene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-[(4-cyanophenyl)methyl]imidazol-4-yl]methylamino]-1-benzothiophene-2-carboxylate Traditional Name: 5-[[3-(4-cyanobenzyl)imidazol-4-yl]methylamino]benzothiophene-2-carboxylic acid ethyl ester Formula: C23H20N4O2S MolecularWeight: 416.4955

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

Isomeric SMILES

CCOC(=O)C1=CC2=C(S1)C=CC(=C2)NCC3=CN=CN3CC4=CC=C(C=C4)C#N

InChI

InChI=1S/C23H20N4O2S/c1-2-29-23(28)22-10-18-9-19(7-8-21(18)30-22)26-13-20-12-25-15-27(20)14-17-5-3-16(11-24)4-6-17/h3-10,12,15,26H,2,13-14H2,1H3