[3-ethanoyl-2-methyl-4-(2-methyl-4-oxidanylidene-chromen-8-yl)-1,4-dihydro-1,6-naphthyridin-5-yl] butane-1-sulfonate

Systemtic Name: [3-ethanoyl-2-methyl-4-(2-methyl-4-oxidanylidene-chromen-8-yl)-1,4-dihydro-1,6-naphthyridin-5-yl] butane-1-sulfonate Openeye Name: [3-acetyl-2-methyl-4-(2-methyl-4-oxo-chromen-8-yl)-1,4-dihydro-1,6-naphthyridin-5-yl] butane-1-sulfonate CAS Name: 1-butanesulfonic acid IUPAC Name: [3-acetyl-2-methyl-4-(2-methyl-4-oxochromen-8-yl)-1,4-dihydro-1,6-naphthyridin-5-yl] butane-1-sulfonate Traditional Name: butane-1-sulfonic acid [3-acetyl-4-(4-keto-2-methyl-chromen-8-yl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester Formula: C25H26N2O6S MolecularWeight: 482.54874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)OC1=NC=CC2=C1C(C(=C(N2)C)C(=O)C)C3=CC=CC4=C3OC(=CC4=O)C

Isomeric SMILES

CCCCS(=O)(=O)OC1=NC=CC2=C1C(C(=C(N2)C)C(=O)C)C3=CC=CC4=C3OC(=CC4=O)C

InChI

InChI=1S/C25H26N2O6S/c1-5-6-12-34(30,31)33-25-23-19(10-11-26-25)27-15(3)21(16(4)28)22(23)18-9-7-8-17-20(29)13-14(2)32-24(17)18/h7-11,13,22,27H,5-6,12H2,1-4H3