[4-(1,3-dithiolan-2-yl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate

Systemtic Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Openeye Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-methyl-3-phenyl-isoxazole-4-carboxylate CAS Name: 5-methyl-3-phenyl-4-isoxazolecarboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)phenyl] 5-methyl-3-phenyl-1,2-oxazole-4-carboxylate Traditional Name: 5-methyl-3-phenyl-isoxazole-4-carboxylic acid [4-(1,3-dithiolan-2-yl)phenyl] ester Formula: C20H17NO3S2 MolecularWeight: 383.48388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

Isomeric SMILES

CC1=C(C(=NO1)C2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)C4SCCS4

InChI

InChI=1S/C20H17NO3S2/c1-13-17(18(21-24-13)14-5-3-2-4-6-14)19(22)23-16-9-7-15(8-10-16)20-25-11-12-26-20/h2-10,20H,11-12H2,1H3