2-(3-methylphenoxy)ethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate

Systemtic Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Openeye Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-methylsulfanyl-3-(3-pyridylmethylamino)prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridinylmethylamino)-2-propenoic acid 2-(3-methylphenoxy)ethyl ester IUPAC Name: 2-(3-methylphenoxy)ethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-(3-pyridylmethylamino)acrylic acid 2-(3-methylphenoxy)ethyl ester Formula: C20H21N3O3S MolecularWeight: 383.46404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCOC(=O)C(=C(NCC2=CN=CC=C2)SC)C#N

Isomeric SMILES

CC1=CC(=CC=C1)OCCOC(=O)/C(=C(\NCC2=CN=CC=C2)/SC)/C#N

InChI

InChI=1S/C20H21N3O3S/c1-15-5-3-7-17(11-15)25-9-10-26-20(24)18(12-21)19(27-2)23-14-16-6-4-8-22-13-16/h3-8,11,13,23H,9-10,14H2,1-2H3/b19-18+