[3-butyl-1-(3-methylsulfonylphenyl)-2-oxidanylidene-1,8-naphthyridin-4-yl] ethanoate

Systemtic Name: [3-butyl-1-(3-methylsulfonylphenyl)-2-oxidanylidene-1,8-naphthyridin-4-yl] ethanoate Openeye Name: [3-butyl-1-(3-methylsulfonylphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate CAS Name: acetic acid [3-butyl-1-(3-methylsulfonylphenyl)-2-oxo-1,8-naphthyridin-4-yl] ester IUPAC Name: [3-butyl-1-(3-methylsulfonylphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate Traditional Name: acetic acid [3-butyl-2-keto-1-(3-mesylphenyl)-1,8-naphthyridin-4-yl] ester Formula: C21H22N2O5S MolecularWeight: 414.47478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C2=C(N=CC=C2)N(C1=O)C3=CC(=CC=C3)S(=O)(=O)C)OC(=O)C

Isomeric SMILES

CCCCC1=C(C2=C(N=CC=C2)N(C1=O)C3=CC(=CC=C3)S(=O)(=O)C)OC(=O)C

InChI

InChI=1S/C21H22N2O5S/c1-4-5-10-18-19(28-14(2)24)17-11-7-12-22-20(17)23(21(18)25)15-8-6-9-16(13-15)29(3,26)27/h6-9,11-13H,4-5,10H2,1-3H3