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

Systemtic Name: [3-butyl-1-(4-methylsulfanylphenyl)-2-oxidanylidene-1,8-naphthyridin-4-yl] ethanoate Openeye Name: [3-butyl-1-(4-methylsulfanylphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate CAS Name: acetic acid [3-butyl-1-[4-(methylthio)phenyl]-2-oxo-1,8-naphthyridin-4-yl] ester IUPAC Name: [3-butyl-1-(4-methylsulfanylphenyl)-2-oxo-1,8-naphthyridin-4-yl] acetate Traditional Name: acetic acid [3-butyl-2-keto-1-[4-(methylthio)phenyl]-1,8-naphthyridin-4-yl] ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-4-5-7-18-19(26-14(2)24)17-8-6-13-22-20(17)23(21(18)25)15-9-11-16(27-3)12-10-15/h6,8-13H,4-5,7H2,1-3H3