(E)-3-azanyl-2-(pentanoylamino)-4-sulfanylidene-but-2-enoic acid

Systemtic Name: (E)-3-azanyl-2-(pentanoylamino)-4-sulfanylidene-but-2-enoic acid Openeye Name: (E)-3-amino-2-(pentanoylamino)-4-thioxo-but-2-enoic acid CAS Name: (E)-3-amino-2-(1-oxopentylamino)-4-sulfanylidene-2-butenoic acid IUPAC Name: (E)-3-amino-2-(pentanoylamino)-4-sulfanylidenebut-2-enoic acid Traditional Name: (E)-3-amino-4-thioxo-2-(valerylamino)but-2-enoic acid Formula: C9H14N2O3S MolecularWeight: 230.28406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=O)NC(=C(C=S)N)C(=O)O

Isomeric SMILES

CCCCC(=O)N/C(=C(\C=S)/N)/C(=O)O

InChI

InChI=1S/C9H14N2O3S/c1-2-3-4-7(12)11-8(9(13)14)6(10)5-15/h5H,2-4,10H2,1H3,(H,11,12)(H,13,14)/b8-6+