methyl 4-(4-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-fluorophenyl)-2-[2-(1-methylimidazol-2-yl)sulfanylethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 4-(4-fluorophenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate CAS Name: 4-(4-fluorophenyl)-2-[[2-[(1-methyl-2-imidazolyl)thio]-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-fluorophenyl)-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]thiophene-3-carboxylate Traditional Name: 4-(4-fluorophenyl)-2-[[2-[(1-methylimidazol-2-yl)thio]acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C18H16FN3O3S2 MolecularWeight: 405.466343

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

Isomeric SMILES

CN1C=CN=C1SCC(=O)NC2=C(C(=CS2)C3=CC=C(C=C3)F)C(=O)OC

InChI

InChI=1S/C18H16FN3O3S2/c1-22-8-7-20-18(22)27-10-14(23)21-16-15(17(24)25-2)13(9-26-16)11-3-5-12(19)6-4-11/h3-9H,10H2,1-2H3,(H,21,23)