[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1,3-benzodioxol-5-yl)propanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1,3-benzodioxol-5-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(1,3-benzodioxol-5-yl)propanoate CAS Name: 3-(1,3-benzodioxol-5-yl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(1,3-benzodioxol-5-yl)propanoate Traditional Name: 3-(1,3-benzodioxol-5-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C20H20O5S2 MolecularWeight: 404.4998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20O5S2/c1-22-17-11-14(20-26-8-9-27-20)4-6-16(17)25-19(21)7-3-13-2-5-15-18(10-13)24-12-23-15/h2,4-6,10-11,20H,3,7-9,12H2,1H3