2-ethyl-5-ethylsulfanyl-4-[(E)-[(4-fluorophenyl)carbonylhydrazinylidene]methyl]thiophene-3-carboxylic acid

Systemtic Name: 2-ethyl-5-ethylsulfanyl-4-[(E)-[(4-fluorophenyl)carbonylhydrazinylidene]methyl]thiophene-3-carboxylic acid Openeye Name: 2-ethyl-5-ethylsulfanyl-4-[(E)-[(4-fluorobenzoyl)hydrazono]methyl]thiophene-3-carboxylic acid CAS Name: 2-ethyl-5-(ethylthio)-4-[(E)-[[(4-fluorophenyl)-oxomethyl]hydrazinylidene]methyl]-3-thiophenecarboxylic acid IUPAC Name: 2-ethyl-5-ethylsulfanyl-4-[(E)-[(4-fluorobenzoyl)hydrazinylidene]methyl]thiophene-3-carboxylic acid Traditional Name: 2-ethyl-5-(ethylthio)-4-[(E)-[(4-fluorobenzoyl)hydrazono]methyl]-3-thenoic acid Formula: C17H17FN2O3S2 MolecularWeight: 380.456883

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C(S1)SCC)C=NNC(=O)C2=CC=C(C=C2)F)C(=O)O

Isomeric SMILES

CCC1=C(C(=C(S1)SCC)/C=N/NC(=O)C2=CC=C(C=C2)F)C(=O)O

InChI

InChI=1S/C17H17FN2O3S2/c1-3-13-14(16(22)23)12(17(25-13)24-4-2)9-19-20-15(21)10-5-7-11(18)8-6-10/h5-9H,3-4H2,1-2H3,(H,20,21)(H,22,23)/b19-9+