2-[2-[(E)-2-azanylbut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-2-azanylbut-2-enoate

Systemtic Name: 2-[2-[(E)-2-azanylbut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-2-azanylbut-2-enoate Openeye Name: 2-[2-[(E)-2-aminobut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-2-aminobut-2-enoate CAS Name: (Z)-2-amino-2-butenoic acid 2-[2-[(E)-2-amino-1-oxobut-2-enoxy]ethylthio]ethyl ester IUPAC Name: 2-[2-[(E)-2-aminobut-2-enoyl]oxyethylsulfanyl]ethyl (Z)-2-aminobut-2-enoate Traditional Name: (Z)-2-aminobut-2-enoic acid 2-[2-[(E)-2-aminobut-2-enoyl]oxyethylthio]ethyl ester Formula: C12H20N2O4S MolecularWeight: 288.3632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC=C(C(=O)OCCSCCOC(=O)C(=CC)N)N

Isomeric SMILES

C/C=C(\C(=O)OCCSCCOC(=O)/C(=C/C)/N)/N

InChI

InChI=1S/C12H20N2O4S/c1-3-9(13)11(15)17-5-7-19-8-6-18-12(16)10(14)4-2/h3-4H,5-8,13-14H2,1-2H3/b9-3-,10-4+