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

Systemtic Name: O2-azanyl O1-[2-methyl-4-[5-(4-phenylbut-1-ynyl)thiophen-2-yl]butyl] ethanedioate Openeye Name: O2-amino O1-[2-methyl-4-[5-(4-phenylbut-1-ynyl)-2-thienyl]butyl] oxalate CAS Name: oxalic acid O2-amino ester O1-[2-methyl-4-[5-(4-phenylbut-1-ynyl)-2-thiophenyl]butyl] ester IUPAC Name: 2-O-amino 1-O-[2-methyl-4-[5-(4-phenylbut-1-ynyl)thiophen-2-yl]butyl] oxalate Traditional Name: oxalic acid O2-amino ester O1-[2-methyl-4-[5-(4-phenylbut-1-ynyl)-2-thienyl]butyl] ester Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC1=CC=C(S1)C#CCCC2=CC=CC=C2)COC(=O)C(=O)ON

Isomeric SMILES

CC(CCC1=CC=C(S1)C#CCCC2=CC=CC=C2)COC(=O)C(=O)ON

InChI

InChI=1S/C21H23NO4S/c1-16(15-25-20(23)21(24)26-22)11-12-19-14-13-18(27-19)10-6-5-9-17-7-3-2-4-8-17/h2-4,7-8,13-14,16H,5,9,11-12,15,22H2,1H3