(2-oxidanylidene-2-phenylazanyl-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Openeye Name: (2-anilino-2-oxo-ethyl) 3-(cyclohexylsulfanylmethyl)benzofuran-2-carboxylate CAS Name: 3-[(cyclohexylthio)methyl]-2-benzofurancarboxylic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-(cyclohexylsulfanylmethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-[(cyclohexylthio)methyl]coumarilic acid (2-anilino-2-keto-ethyl) ester Formula: C24H25NO4S MolecularWeight: 423.5246

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=CC=C4

Isomeric SMILES

C1CCC(CC1)SCC2=C(OC3=CC=CC=C32)C(=O)OCC(=O)NC4=CC=CC=C4

InChI

InChI=1S/C24H25NO4S/c26-22(25-17-9-3-1-4-10-17)15-28-24(27)23-20(16-30-18-11-5-2-6-12-18)19-13-7-8-14-21(19)29-23/h1,3-4,7-10,13-14,18H,2,5-6,11-12,15-16H2,(H,25,26)