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

Systemtic Name: [2-(4-chlorophenyl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(4-chlorophenyl)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(4-chlorophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-chlorophenyl)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(4-chlorophenyl)-2-keto-ethyl] ester Formula: C24H23ClO4S MolecularWeight: 442.95502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClO4S/c25-17-12-10-16(11-13-17)21(26)14-28-24(27)23-20(15-30-18-6-2-1-3-7-18)19-8-4-5-9-22(19)29-23/h4-5,8-13,18H,1-3,6-7,14-15H2