ethyl 4-[[5,6-bis(oxidanylidene)-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl]methyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[[5,6-bis(oxidanylidene)-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl]methyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(5,6-dioxo-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl)methyl]piperazine-1-carboxylate CAS Name: 4-[(5,6-dioxo-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl)methyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(5,6-dioxo-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl)methyl]piperazine-1-carboxylate Traditional Name: 4-[(5,6-diketo-2,3-dihydrobenzo[f][1,4]benzoxathiin-3-yl)methyl]piperazine-1-carboxylic acid ethyl ester Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC2CSC3=C(O2)C(=O)C(=O)C4=CC=CC=C43

Isomeric SMILES

CCOC(=O)N1CCN(CC1)CC2CSC3=C(O2)C(=O)C(=O)C4=CC=CC=C43

InChI

InChI=1S/C20H22N2O5S/c1-2-26-20(25)22-9-7-21(8-10-22)11-13-12-28-19-15-6-4-3-5-14(15)16(23)17(24)18(19)27-13/h3-6,13H,2,7-12H2,1H3