[4-(4-cyano-2-methoxy-phenyl)-3-ethanoyl-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ethanesulfonate

Systemtic Name: [4-(4-cyano-2-methoxy-phenyl)-3-ethanoyl-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ethanesulfonate Openeye Name: [3-acetyl-4-(4-cyano-2-methoxy-phenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ethanesulfonate CAS Name: ethanesulfonic acid [3-acetyl-4-(4-cyano-2-methoxyphenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester IUPAC Name: [3-acetyl-4-(4-cyano-2-methoxyphenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ethanesulfonate Traditional Name: ethanesulfonic acid [3-acetyl-4-(4-cyano-2-methoxy-phenyl)-2-methyl-1,4-dihydro-1,6-naphthyridin-5-yl] ester Formula: C21H21N3O5S MolecularWeight: 427.47354

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)OC1=NC=CC2=C1C(C(=C(N2)C)C(=O)C)C3=C(C=C(C=C3)C#N)OC

Isomeric SMILES

CCS(=O)(=O)OC1=NC=CC2=C1C(C(=C(N2)C)C(=O)C)C3=C(C=C(C=C3)C#N)OC

InChI

InChI=1S/C21H21N3O5S/c1-5-30(26,27)29-21-20-16(8-9-23-21)24-12(2)18(13(3)25)19(20)15-7-6-14(11-22)10-17(15)28-4/h6-10,19,24H,5H2,1-4H3