ethyl 3-azanylsulfanyl-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoate

Systemtic Name: ethyl 3-azanylsulfanyl-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoate Openeye Name: ethyl 3-aminosulfanyl-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoate CAS Name: 3-(aminothio)-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid ethyl ester IUPAC Name: ethyl 3-aminosulfanyl-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propanoate Traditional Name: 3-(aminothio)-2-[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]propionic acid ethyl ester Formula: C16H21N3O6S MolecularWeight: 383.41944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CSN)C1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC

Isomeric SMILES

CCOC(=O)C(CSN)C1=NN=C(O1)C2=CC(=C(C(=C2)OC)OC)OC

InChI

InChI=1S/C16H21N3O6S/c1-5-24-16(20)10(8-26-17)15-19-18-14(25-15)9-6-11(21-2)13(23-4)12(7-9)22-3/h6-7,10H,5,8,17H2,1-4H3