methyl 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-thiophen-2-yl-but-2-enyl]benzoate

Systemtic Name: methyl 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-thiophen-2-yl-but-2-enyl]benzoate Openeye Name: methyl 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-(2-thienyl)but-2-enyl]benzoate CAS Name: 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-thiophen-2-ylbut-2-enyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-thiophen-2-ylbut-2-enyl]benzoate Traditional Name: 4-[(Z)-3-cyano-2-(1H-imidazol-5-yl)-4-(2-thienyl)but-2-enyl]benzoic acid methyl ester Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CC(=C(CC2=CC=CS2)C#N)C3=CN=CN3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)C/C(=C(\CC2=CC=CS2)/C#N)/C3=CN=CN3

InChI

InChI=1S/C20H17N3O2S/c1-25-20(24)15-6-4-14(5-7-15)9-18(19-12-22-13-23-19)16(11-21)10-17-3-2-8-26-17/h2-8,12-13H,9-10H2,1H3,(H,22,23)/b18-16-