2-methoxyethyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: 2-methoxyethyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: 2-methoxyethyl 2-[acetyl-[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[N-acetyl-5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoroanilino]-oxomethyl]-1-cyclohexenecarboxylic acid 2-methoxyethyl ester IUPAC Name: 2-methoxyethyl 2-[acetyl-[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[acetyl-[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]carbamoyl]cyclohexene-1-carboxylic acid 2-methoxyethyl ester Formula: C25H31ClFNO7S MolecularWeight: 544.032543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)C)C(=O)C2=C(CCCC2)C(=O)OCCOC)F)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)C)C(=O)C2=C(CCCC2)C(=O)OCCOC)F)Cl

InChI

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