butyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-(3-fluorophenyl)carbonyl-carbamoyl]cyclohexene-1-carboxylate

Systemtic Name: butyl 2-[[5-(2-butoxy-2-oxidanylidene-ethyl)sulfanyl-4-chloranyl-2-fluoranyl-phenyl]-(3-fluorophenyl)carbonyl-carbamoyl]cyclohexene-1-carboxylate Openeye Name: butyl 2-[[5-(2-butoxy-2-oxo-ethyl)sulfanyl-4-chloro-2-fluoro-phenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylate CAS Name: 2-[[5-[(2-butoxy-2-oxoethyl)thio]-4-chloro-2-fluoro-N-[(3-fluorophenyl)-oxomethyl]anilino]-oxomethyl]-1-cyclohexenecarboxylic acid butyl ester IUPAC Name: butyl 2-[[5-(2-butoxy-2-oxoethyl)sulfanyl-4-chloro-2-fluorophenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylate Traditional Name: 2-[[5-[(2-butoxy-2-keto-ethyl)thio]-4-chloro-2-fluoro-phenyl]-(3-fluorobenzoyl)carbamoyl]cyclohexene-1-carboxylic acid butyl ester Formula: C31H34ClF2NO6S MolecularWeight: 622.119566

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)OCCCC)C(=O)C3=CC(=CC=C3)F)F)Cl

Isomeric SMILES

CCCCOC(=O)CSC1=C(C=C(C(=C1)N(C(=O)C2=C(CCCC2)C(=O)OCCCC)C(=O)C3=CC(=CC=C3)F)F)Cl

InChI

InChI=1S/C31H34ClF2NO6S/c1-3-5-14-40-28(36)19-42-27-18-26(25(34)17-24(27)32)35(29(37)20-10-9-11-21(33)16-20)30(38)22-12-7-8-13-23(22)31(39)41-15-6-4-2/h9-11,16-18H,3-8,12-15,19H2,1-2H3