[2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate

Systemtic Name: [2-[[1,1-bis(oxidanylidene)thiolan-3-yl]-cyclohexyl-amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[cyclohexyl-(1,1-dioxo-3-thiolanyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[cyclohexyl-(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[cyclohexyl-(1,1-diketothiolan-3-yl)amino]-2-keto-ethyl] ester Formula: C26H29NO6S MolecularWeight: 483.57656

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

C1CCC(CC1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C26H29NO6S/c28-24(27(18-8-2-1-3-9-18)19-14-15-34(30,31)17-19)16-32-26(29)25-20-10-4-6-12-22(20)33-23-13-7-5-11-21(23)25/h4-7,10-13,18-19,25H,1-3,8-9,14-17H2