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

Systemtic Name: propyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-ethanoyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C25H31ClFNO6S MolecularWeight: 528.033143

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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)OCCC)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C25H31ClFNO6S/c1-4-6-12-33-23(30)15-35-22-14-21(20(27)13-19(22)26)28(16(3)29)24(31)17-9-7-8-10-18(17)25(32)34-11-5-2/h13-14H,4-12,15H2,1-3H3