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

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 3-(3,5-dimethylisoxazol-4-yl)propanoate CAS Name: 3-(3,5-dimethyl-4-isoxazolyl)propanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoate Traditional Name: 3-(3,5-dimethylisoxazol-4-yl)propionic acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C18H21NO4S2 MolecularWeight: 379.49364

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)CCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

Isomeric SMILES

CC1=C(C(=NO1)C)CCC(=O)OC2=C(C=C(C=C2)C3SCCS3)OC

InChI

InChI=1S/C18H21NO4S2/c1-11-14(12(2)23-19-11)5-7-17(20)22-15-6-4-13(10-16(15)21-3)18-24-8-9-25-18/h4,6,10,18H,5,7-9H2,1-3H3