[2-[(E)-3-azanylbut-2-enoyl]oxy-2-ethylsulfanyl-ethyl] (E)-3-azanylbut-2-enoate

Systemtic Name: [2-[(E)-3-azanylbut-2-enoyl]oxy-2-ethylsulfanyl-ethyl] (E)-3-azanylbut-2-enoate Openeye Name: [2-[(E)-3-aminobut-2-enoyl]oxy-2-ethylsulfanyl-ethyl] (E)-3-aminobut-2-enoate CAS Name: (E)-3-amino-2-butenoic acid [2-[(E)-3-amino-1-oxobut-2-enoxy]-2-(ethylthio)ethyl] ester IUPAC Name: [2-[(E)-3-aminobut-2-enoyl]oxy-2-ethylsulfanylethyl] (E)-3-aminobut-2-enoate Traditional Name: (E)-3-aminobut-2-enoic acid [2-[(E)-3-aminobut-2-enoyl]oxy-2-(ethylthio)ethyl] ester Formula: C12H20N2O4S MolecularWeight: 288.3632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC(COC(=O)C=C(C)N)OC(=O)C=C(C)N

Isomeric SMILES

CCSC(COC(=O)/C=C(\C)/N)OC(=O)/C=C(\C)/N

InChI

InChI=1S/C12H20N2O4S/c1-4-19-12(18-11(16)6-9(3)14)7-17-10(15)5-8(2)13/h5-6,12H,4,7,13-14H2,1-3H3/b8-5+,9-6+