S-methyl 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]benzenecarbothioate

Systemtic Name: S-methyl 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]benzenecarbothioate Openeye Name: S-methyl 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]benzenecarbothioate CAS Name: 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]benzenecarbothioic acid S-methyl ester IUPAC Name: S-methyl 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]benzenecarbothioate Traditional Name: 2-methoxy-3-methyl-5-[5-(5-methyl-1,3,4-oxadiazol-2-yl)pent-1-ynyl]thiobenzoic acid S-methyl ester Formula: C18H20N2O3S MolecularWeight: 344.428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC)C(=O)SC)C#CCCCC2=NN=C(O2)C

Isomeric SMILES

CC1=CC(=CC(=C1OC)C(=O)SC)C#CCCCC2=NN=C(O2)C

InChI

InChI=1S/C18H20N2O3S/c1-12-10-14(11-15(17(12)22-3)18(21)24-4)8-6-5-7-9-16-20-19-13(2)23-16/h10-11H,5,7,9H2,1-4H3