[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-2-methylsulfanyl-imidazole-4-carboxylate Openeye Name: [2-[(3-cyano-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-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-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-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C18H13FN4O3S2 MolecularWeight: 416.449223

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C#N

Isomeric SMILES

CSC1=NC=C(N1C2=CC=C(C=C2)F)C(=O)OCC(=O)NC3=C(C=CS3)C#N

InChI

InChI=1S/C18H13FN4O3S2/c1-27-18-21-9-14(23(18)13-4-2-12(19)3-5-13)17(25)26-10-15(24)22-16-11(8-20)6-7-28-16/h2-7,9H,10H2,1H3,(H,22,24)