2-ethoxyethyl 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: 2-ethoxyethyl 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-ethoxyethyl 2-[[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]-propanoyl-carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoro-N-(1-oxopropyl)anilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]-propanoylcarbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-phenyl]-propionyl-carbamoyl]cyclohexene-1-carboxylic acid 2-ethoxyethyl ester Formula: C25H31ClFNO7S MolecularWeight: 544.032543

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N(C1=CC(=C(C=C1F)Cl)SCC(=O)OCC)C(=O)C2=C(CCCC2)C(=O)OCCOCC

Isomeric SMILES

CCC(=O)N(C1=CC(=C(C=C1F)Cl)SCC(=O)OCC)C(=O)C2=C(CCCC2)C(=O)OCCOCC

InChI

InChI=1S/C25H31ClFNO7S/c1-4-22(29)28(20-14-21(18(26)13-19(20)27)36-15-23(30)34-6-3)24(31)16-9-7-8-10-17(16)25(32)35-12-11-33-5-2/h13-14H,4-12,15H2,1-3H3