S-ethyl (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate

Systemtic Name: S-ethyl (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate Openeye Name: S-ethyl (E)-2-cyano-3-(isobutylamino)but-2-enethioate CAS Name: (E)-2-cyano-3-(2-methylpropylamino)-2-butenethioic acid S-ethyl ester IUPAC Name: S-ethyl (E)-2-cyano-3-(2-methylpropylamino)but-2-enethioate Traditional Name: (E)-2-cyano-3-(isobutylamino)but-2-enethioic acid S-ethyl ester Formula: C11H18N2OS MolecularWeight: 226.33842

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=C(C)NCC(C)C)C#N

Isomeric SMILES

CCSC(=O)/C(=C(\C)/NCC(C)C)/C#N

InChI

InChI=1S/C11H18N2OS/c1-5-15-11(14)10(6-12)9(4)13-7-8(2)3/h8,13H,5,7H2,1-4H3/b10-9+