S-methyl (E)-2-cyano-3-[(3-methylphenyl)methylamino]but-2-enethioate

Systemtic Name: S-methyl (E)-2-cyano-3-[(3-methylphenyl)methylamino]but-2-enethioate Openeye Name: S-methyl (E)-2-cyano-3-(m-tolylmethylamino)but-2-enethioate CAS Name: (E)-2-cyano-3-[(3-methylphenyl)methylamino]-2-butenethioic acid S-methyl ester IUPAC Name: S-methyl (E)-2-cyano-3-[(3-methylphenyl)methylamino]but-2-enethioate Traditional Name: (E)-2-cyano-3-[(3-methylbenzyl)amino]but-2-enethioic acid S-methyl ester Formula: C14H16N2OS MolecularWeight: 260.35464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CNC(=C(C#N)C(=O)SC)C

Isomeric SMILES

CC1=CC(=CC=C1)CN/C(=C(\C#N)/C(=O)SC)/C

InChI

InChI=1S/C14H16N2OS/c1-10-5-4-6-12(7-10)9-16-11(2)13(8-15)14(17)18-3/h4-7,16H,9H2,1-3H3/b13-11+