[4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate

Systemtic Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(2-oxidanylidene-1,3-benzoxazol-3-yl)butanoate Openeye Name: [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate CAS Name: 4-(2-oxo-1,3-benzoxazol-3-yl)butanoic acid [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] ester IUPAC Name: [4-(1,3-dithiolan-2-yl)-2-methoxyphenyl] 4-(2-oxo-1,3-benzoxazol-3-yl)butanoate Traditional Name: 4-(2-keto-1,3-benzoxazol-3-yl)butyric acid [4-(1,3-dithiolan-2-yl)-2-methoxy-phenyl] ester Formula: C21H21NO5S2 MolecularWeight: 431.52514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCCN3C4=CC=CC=C4OC3=O

Isomeric SMILES

COC1=C(C=CC(=C1)C2SCCS2)OC(=O)CCCN3C4=CC=CC=C4OC3=O

InChI

InChI=1S/C21H21NO5S2/c1-25-18-13-14(20-28-11-12-29-20)8-9-17(18)26-19(23)7-4-10-22-15-5-2-3-6-16(15)27-21(22)24/h2-3,5-6,8-9,13,20H,4,7,10-12H2,1H3