(E)-2-cyano-3-(2-methylpropylamino)but-2-enethioic S-acid

Systemtic Name: (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioic S-acid Openeye Name: (E)-2-cyano-3-(isobutylamino)but-2-enethioic S-acid CAS Name: (E)-2-cyano-3-(2-methylpropylamino)-2-butenethioic S-acid IUPAC Name: (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioic S-acid Traditional Name: (E)-2-cyano-3-(isobutylamino)but-2-enethioic S-acid Formula: C9H14N2OS MolecularWeight: 198.28526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CNC(=C(C#N)C(=O)S)C

Isomeric SMILES

CC(C)CN/C(=C(\C#N)/C(=O)S)/C

InChI

InChI=1S/C9H14N2OS/c1-6(2)5-11-7(3)8(4-10)9(12)13/h6,11H,5H2,1-3H3,(H,12,13)/b8-7+