[2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(5-chloranylthiophen-2-yl)-2-oxidanylidene-ethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(5-chloro-2-thienyl)-2-oxo-ethyl] 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid [2-(5-chloro-2-thiophenyl)-2-oxoethyl] ester IUPAC Name: [2-(5-chlorothiophen-2-yl)-2-oxoethyl] 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid [2-(5-chloro-2-thienyl)-2-keto-ethyl] ester Formula: C22H21ClO4S2 MolecularWeight: 448.98274

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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(S4)Cl

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)C4=CC=C(S4)Cl

InChI

InChI=1S/C22H21ClO4S2/c23-20-11-10-19(29-20)17(24)12-26-22(25)21-16(13-28-14-6-2-1-3-7-14)15-8-4-5-9-18(15)27-21/h4-5,8-11,14H,1-3,6-7,12-13H2