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

Systemtic Name: 2-ethoxyethyl 2-[[4-chloranyl-5-(2-ethoxy-2-oxidanylidene-ethyl)sulfanyl-2-fluoranyl-phenyl]-(phenylcarbonyl)carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-ethoxyethyl 2-[benzoyl-[4-chloro-5-(2-ethoxy-2-oxo-ethyl)sulfanyl-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-benzoyl-4-chloro-5-[(2-ethoxy-2-oxoethyl)thio]-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl 2-[benzoyl-[4-chloro-5-(2-ethoxy-2-oxoethyl)sulfanyl-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[benzoyl-[4-chloro-5-[(2-ethoxy-2-keto-ethyl)thio]-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid 2-ethoxyethyl ester Formula: C29H31ClFNO7S MolecularWeight: 592.075343

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OCC)C(=O)C3=CC=CC=C3

Isomeric SMILES

CCOCCOC(=O)C1=C(CCCC1)C(=O)N(C2=CC(=C(C=C2F)Cl)SCC(=O)OCC)C(=O)C3=CC=CC=C3

InChI

InChI=1S/C29H31ClFNO7S/c1-3-37-14-15-39-29(36)21-13-9-8-12-20(21)28(35)32(27(34)19-10-6-5-7-11-19)24-17-25(22(30)16-23(24)31)40-18-26(33)38-4-2/h5-7,10-11,16-17H,3-4,8-9,12-15,18H2,1-2H3