2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid

Systemtic Name: 2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid Openeye Name: 2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxo-ethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid CAS Name: 2-[[2-(4-ethoxycarbonyl-1-piperazinyl)-2-oxoethyl]thio]-3-(4-fluorophenyl)-4-imidazolecarboxylic acid IUPAC Name: 2-[2-(4-ethoxycarbonylpiperazin-1-yl)-2-oxoethyl]sulfanyl-3-(4-fluorophenyl)imidazole-4-carboxylic acid Traditional Name: 2-[[2-(4-carbethoxypiperazino)-2-keto-ethyl]thio]-3-(4-fluorophenyl)imidazole-4-carboxylic acid Formula: C19H21FN4O5S MolecularWeight: 436.457243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)CSC2=NC=C(N2C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C19H21FN4O5S/c1-2-29-19(28)23-9-7-22(8-10-23)16(25)12-30-18-21-11-15(17(26)27)24(18)14-5-3-13(20)4-6-14/h3-6,11H,2,7-10,12H2,1H3,(H,26,27)