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

Systemtic Name: 2-phenoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Openeye Name: 2-phenoxyethyl (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-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl (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-phenoxyethyl ester Formula: C19H19N3O3S MolecularWeight: 369.43746

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Descriptors Computed from Structure

Canonical SMILES:

CSC(=C(C#N)C(=O)OCCOC1=CC=CC=C1)NCC2=CN=CC=C2

Isomeric SMILES

CS/C(=C(\C#N)/C(=O)OCCOC1=CC=CC=C1)/NCC2=CN=CC=C2

InChI

InChI=1S/C19H19N3O3S/c1-26-18(22-14-15-6-5-9-21-13-15)17(12-20)19(23)25-11-10-24-16-7-3-2-4-8-16/h2-9,13,22H,10-11,14H2,1H3/b18-17+