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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate CAS Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanoate Traditional Name: 3-(3-phenyl-1,2,4-oxadiazol-5-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCC3=NC(=NO3)C4=CC=CC=C4

InChI

InChI=1S/C21H20N2O4S2/c1-25-17-13-15(21-28-11-12-29-21)7-8-16(17)26-19(24)10-9-18-22-20(23-27-18)14-5-3-2-4-6-14/h2-8,13,21H,9-12H2,1H3