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

Systemtic Name: [2-[[(3S)-1,1-bis(oxidanylidene)thiolan-3-yl]-methyl-amino]-2-oxidanylidene-ethyl] 9H-xanthene-9-carboxylate Openeye Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methyl-amino]-2-oxo-ethyl] 9H-xanthene-9-carboxylate CAS Name: 9H-xanthene-9-carboxylic acid [2-[[(3S)-1,1-dioxo-3-thiolanyl]-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[[(3S)-1,1-dioxothiolan-3-yl]-methylamino]-2-oxoethyl] 9H-xanthene-9-carboxylate Traditional Name: 9H-xanthene-9-carboxylic acid [2-[[(3S)-1,1-diketothiolan-3-yl]-methyl-amino]-2-keto-ethyl] ester Formula: C21H21NO6S MolecularWeight: 415.45954

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCS(=O)(=O)C1)C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

CN([C@H]1CCS(=O)(=O)C1)C(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

InChI

InChI=1S/C21H21NO6S/c1-22(14-10-11-29(25,26)13-14)19(23)12-27-21(24)20-15-6-2-4-8-17(15)28-18-9-5-3-7-16(18)20/h2-9,14,20H,10-13H2,1H3/t14-/m0/s1