[5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-7-ethanoyl-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate

Systemtic Name: [5-[1,1-bis(oxidanylidene)-1,2-thiazinan-2-yl]-7-ethanoyl-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate Openeye Name: [7-acetyl-5-(1,1-dioxothiazinan-2-yl)-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [7-acetyl-5-(1,1-dioxo-2-thiazinanyl)-1,6-naphthyridin-8-yl] ester IUPAC Name: [7-acetyl-5-(1,1-dioxothiazinan-2-yl)-1,6-naphthyridin-8-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [7-acetyl-5-(1,1-diketothiazinan-2-yl)-1,6-naphthyridin-8-yl] ester Formula: C21H21N3O6S2 MolecularWeight: 475.53794

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)N4CCCCS4(=O)=O)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)N4CCCCS4(=O)=O)C(=O)C

InChI

InChI=1S/C21H21N3O6S2/c1-14-7-9-16(10-8-14)32(28,29)30-20-18(15(2)25)23-21(17-6-5-11-22-19(17)20)24-12-3-4-13-31(24,26)27/h5-11H,3-4,12-13H2,1-2H3