S-ethyl (Z)-2-cyano-3-phenylazanyl-but-2-enethioate

Systemtic Name: S-ethyl (Z)-2-cyano-3-phenylazanyl-but-2-enethioate Openeye Name: S-ethyl (Z)-3-anilino-2-cyano-but-2-enethioate CAS Name: (Z)-3-anilino-2-cyano-2-butenethioic acid S-ethyl ester IUPAC Name: S-ethyl (Z)-3-anilino-2-cyanobut-2-enethioate Traditional Name: (Z)-3-anilino-2-cyano-but-2-enethioic acid S-ethyl ester Formula: C13H14N2OS MolecularWeight: 246.32806

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=O)C(=C(C)NC1=CC=CC=C1)C#N

Isomeric SMILES

CCSC(=O)/C(=C(/C)\NC1=CC=CC=C1)/C#N

InChI

InChI=1S/C13H14N2OS/c1-3-17-13(16)12(9-14)10(2)15-11-7-5-4-6-8-11/h4-8,15H,3H2,1-2H3/b12-10-