2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid

Systemtic Name: 2-[2-[(4-ethanoylphenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid Openeye Name: 2-[2-(4-acetylanilino)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid CAS Name: 2-[[2-(4-acetylanilino)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-imidazolecarboxylic acid IUPAC Name: 2-[2-(4-acetylanilino)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid Traditional Name: 2-[[2-(4-acetylanilino)-2-keto-ethyl]thio]-3-(4-fluorophenyl)imidazole-4-carboxylic acid Formula: C20H16FN3O4S MolecularWeight: 413.422143

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H16FN3O4S/c1-12(25)13-2-6-15(7-3-13)23-18(26)11-29-20-22-10-17(19(27)28)24(20)16-8-4-14(21)5-9-16/h2-10H,11H2,1H3,(H,23,26)(H,27,28)