[2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-(methylthio)-4-imidazolecarboxylic acid [2-[(3-methoxycarbonyl-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-methoxycarbonyl-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl] 3-(4-fluorophenyl)-2-methylsulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-(methylthio)imidazole-4-carboxylic acid [2-[(3-carbomethoxy-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl] ester Formula: C21H20FN3O5S2 MolecularWeight: 477.529003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

Isomeric SMILES

CC1=C(SC(=C1C(=O)OC)NC(=O)COC(=O)C2=CN=C(N2C3=CC=C(C=C3)F)SC)C

InChI

InChI=1S/C21H20FN3O5S2/c1-11-12(2)32-18(17(11)20(28)29-3)24-16(26)10-30-19(27)15-9-23-21(31-4)25(15)14-7-5-13(22)6-8-14/h5-9H,10H2,1-4H3,(H,24,26)