S-(4-chlorophenyl) (E)-2-cyano-3-(cyclopropylamino)but-2-enethioate

Systemtic Name: S-(4-chlorophenyl) (E)-2-cyano-3-(cyclopropylamino)but-2-enethioate Openeye Name: S-(4-chlorophenyl) (E)-2-cyano-3-(cyclopropylamino)but-2-enethioate CAS Name: (E)-2-cyano-3-(cyclopropylamino)-2-butenethioic acid S-(4-chlorophenyl) ester IUPAC Name: S-(4-chlorophenyl) (E)-2-cyano-3-(cyclopropylamino)but-2-enethioate Traditional Name: (E)-2-cyano-3-(cyclopropylamino)but-2-enethioic acid S-(4-chlorophenyl) ester Formula: C14H13ClN2OS MolecularWeight: 292.78382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C#N)C(=O)SC1=CC=C(C=C1)Cl)NC2CC2

Isomeric SMILES

C/C(=C(/C#N)\C(=O)SC1=CC=C(C=C1)Cl)/NC2CC2

InChI

InChI=1S/C14H13ClN2OS/c1-9(17-11-4-5-11)13(8-16)14(18)19-12-6-2-10(15)3-7-12/h2-3,6-7,11,17H,4-5H2,1H3/b13-9+