3-(4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylate

Systemtic Name: 3-(4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-imidazole-4-carboxylate Openeye Name: 3-(4-fluorophenyl)-2-[2-[(5-methylisoxazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-imidazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-2-[[2-[(5-methyl-3-isoxazolyl)amino]-2-oxoethyl]thio]-4-imidazolecarboxylate IUPAC Name: 3-(4-fluorophenyl)-2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylimidazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-2-[[2-keto-2-[(5-methylisoxazol-3-yl)amino]ethyl]thio]imidazole-4-carboxylate Formula: C16H12FN4O4S- MolecularWeight: 375.354283

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)[O-]

InChI

InChI=1S/C16H13FN4O4S/c1-9-6-13(20-25-9)19-14(22)8-26-16-18-7-12(15(23)24)21(16)11-4-2-10(17)3-5-11/h2-7H,8H2,1H3,(H,23,24)(H,19,20,22)/p-1