5-ethylsulfonyl-2-(3-phenoxypropylsulfanyl)-1,3-benzoxazole

Systemtic Name: 5-ethylsulfonyl-2-(3-phenoxypropylsulfanyl)-1,3-benzoxazole Openeye Name: 5-ethylsulfonyl-2-(3-phenoxypropylsulfanyl)-1,3-benzoxazole CAS Name: 5-ethylsulfonyl-2-(3-phenoxypropylthio)-1,3-benzoxazole IUPAC Name: 5-ethylsulfonyl-2-(3-phenoxypropylsulfanyl)-1,3-benzoxazole Traditional Name: 5-esyl-2-(3-phenoxypropylthio)-1,3-benzoxazole Formula: C18H19NO4S2 MolecularWeight: 377.47776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCOC3=CC=CC=C3

Isomeric SMILES

CCS(=O)(=O)C1=CC2=C(C=C1)OC(=N2)SCCCOC3=CC=CC=C3

InChI

InChI=1S/C18H19NO4S2/c1-2-25(20,21)15-9-10-17-16(13-15)19-18(23-17)24-12-6-11-22-14-7-4-3-5-8-14/h3-5,7-10,13H,2,6,11-12H2,1H3