[(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(thiophen-2-ylsulfonylamino)propanoate

Systemtic Name: [(E)-4-azanyl-3-cyano-2-oxidanylidene-pent-3-enyl] 3-(thiophen-2-ylsulfonylamino)propanoate Openeye Name: [(E)-4-amino-3-cyano-2-oxo-pent-3-enyl] 3-(2-thienylsulfonylamino)propanoate CAS Name: 3-(thiophen-2-ylsulfonylamino)propanoic acid [(E)-4-amino-3-cyano-2-oxopent-3-enyl] ester IUPAC Name: [(E)-4-amino-3-cyano-2-oxopent-3-enyl] 3-(thiophen-2-ylsulfonylamino)propanoate Traditional Name: 3-(2-thienylsulfonylamino)propionic acid [(E)-4-amino-3-cyano-2-keto-pent-3-enyl] ester Formula: C13H15N3O5S2 MolecularWeight: 357.4053

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1)N

Isomeric SMILES

C/C(=C(/C#N)\C(=O)COC(=O)CCNS(=O)(=O)C1=CC=CS1)/N

InChI

InChI=1S/C13H15N3O5S2/c1-9(15)10(7-14)11(17)8-21-12(18)4-5-16-23(19,20)13-3-2-6-22-13/h2-3,6,16H,4-5,8,15H2,1H3/b10-9+