[4-acetyloxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)naphthalen-1-yl] propanoate

Systemtic Name: [4-acetyloxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)naphthalen-1-yl] propanoate Openeye Name: [4-acetoxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)-1-naphthyl] propanoate CAS Name: propanoic acid [4-acetyloxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)naphthalen-1-yl] propanoate Traditional Name: propionic acid [4-acetoxy-2,3-dimethoxy-8-(2H-pyrimidin-1-ylsulfinyl)-1-naphthyl] ester Formula: C21H22N2O7S MolecularWeight: 446.47358

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)N3CN=CC=C3)OC(=O)C)OC)OC

Isomeric SMILES

CCC(=O)OC1=C(C(=C(C2=C1C(=CC=C2)S(=O)N3CN=CC=C3)OC(=O)C)OC)OC

InChI

InChI=1S/C21H22N2O7S/c1-5-16(25)30-19-17-14(18(29-13(2)24)20(27-3)21(19)28-4)8-6-9-15(17)31(26)23-11-7-10-22-12-23/h6-11H,5,12H2,1-4H3