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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCS(=O)(=O)C1)NC(=O)COC(=O)C2C3=CC=CC=C3OC4=CC=CC=C24

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO6S/c1-21(10-11-29(25,26)13-21)22-18(23)12-27-20(24)19-14-6-2-4-8-16(14)28-17-9-5-3-7-15(17)19/h2-9,19H,10-13H2,1H3,(H,22,23)/t21-/m1/s1