[2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-[(4-fluorophenyl)methylamino]-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-[(4-fluorophenyl)methylamino]-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-fluorophenyl)methylamino]-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-[(4-fluorobenzyl)amino]-2-keto-ethyl] ester Formula: C25H26FNO4S MolecularWeight: 455.541643

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NCC4=CC=C(C=C4)F

InChI

InChI=1S/C25H26FNO4S/c26-18-12-10-17(11-13-18)14-27-23(28)15-30-25(29)24-21(16-32-19-6-2-1-3-7-19)20-8-4-5-9-22(20)31-24/h4-5,8-13,19H,1-3,6-7,14-16H2,(H,27,28)