ethoxyethane; methyl 3-(4-fluorophenyl)-5-[(E)-3-imidazol-1-ylprop-1-enyl]thiophene-2-carboxylate

Systemtic Name: ethoxyethane; methyl 3-(4-fluorophenyl)-5-[(E)-3-imidazol-1-ylprop-1-enyl]thiophene-2-carboxylate Openeye Name: ethoxyethane; methyl 3-(4-fluorophenyl)-5-[(E)-3-imidazol-1-ylprop-1-enyl]thiophene-2-carboxylate CAS Name: ethoxyethane; 3-(4-fluorophenyl)-5-[(E)-3-(1-imidazolyl)prop-1-enyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: ethoxyethane; methyl 3-(4-fluorophenyl)-5-[(E)-3-imidazol-1-ylprop-1-enyl]thiophene-2-carboxylate Traditional Name: ethoxyethane; 3-(4-fluorophenyl)-5-[(E)-3-imidazol-1-ylprop-1-enyl]thiophene-2-carboxylic acid methyl ester Formula: C22H25FN2O3S MolecularWeight: 416.508903

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC.COC(=O)C1=C(C=C(S1)C=CCN2C=CN=C2)C3=CC=C(C=C3)F

Isomeric SMILES

CCOCC.COC(=O)C1=C(C=C(S1)/C=C/CN2C=CN=C2)C3=CC=C(C=C3)F

InChI

InChI=1S/C18H15FN2O2S.C4H10O/c1-23-18(22)17-16(13-4-6-14(19)7-5-13)11-15(24-17)3-2-9-21-10-8-20-12-21;1-3-5-4-2/h2-8,10-12H,9H2,1H3;3-4H2,1-2H3/b3-2+;