O2-azanyl O1-[2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butyl] ethanedioate

Systemtic Name: O2-azanyl O1-[2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butyl] ethanedioate Openeye Name: O2-amino O1-[2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thienyl]butyl] oxalate CAS Name: oxalic acid O2-amino ester O1-[2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thiophenyl]butyl] ester IUPAC Name: 2-O-amino 1-O-[2-methyl-4-[5-(5-phenylpent-1-ynyl)thiophen-2-yl]butyl] oxalate Traditional Name: oxalic acid O2-amino ester O1-[2-methyl-4-[5-(5-phenylpent-1-ynyl)-2-thienyl]butyl] ester Formula: C22H25NO4S MolecularWeight: 399.5032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)COC(=O)C(=O)ON

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCCC2=CC=CC=C2)COC(=O)C(=O)ON

InChI

InChI=1S/C22H25NO4S/c1-17(16-26-21(24)22(25)27-23)12-13-20-15-14-19(28-20)11-7-3-6-10-18-8-4-2-5-9-18/h2,4-5,8-9,14-15,17H,3,6,10,12-13,16,23H2,1H3