[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 7-chloranyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 7-chloro-3-methyl-benzofuran-2-carboxylate CAS Name: 7-chloro-3-methyl-2-benzofurancarboxylic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 7-chloro-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 7-chloro-3-methyl-coumarilic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C22H26ClNO6S MolecularWeight: 467.96294

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4

Isomeric SMILES

CC1=C(OC2=C1C=CC=C2Cl)C(=O)OCC(=O)N(C3CCCCC3)C4CCS(=O)(=O)C4

InChI

InChI=1S/C22H26ClNO6S/c1-14-17-8-5-9-18(23)21(17)30-20(14)22(26)29-12-19(25)24(15-6-3-2-4-7-15)16-10-11-31(27,28)13-16/h5,8-9,15-16H,2-4,6-7,10-13H2,1H3