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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-(pyridin-3-ylmethylamino)prop-2-enoate Openeye Name: 2-ethoxyethyl (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-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (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-ethoxyethyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=CN=CC=C1)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=CN=CC=C1)/SC)/C#N

InChI

InChI=1S/C15H19N3O3S/c1-3-20-7-8-21-15(19)13(9-16)14(22-2)18-11-12-5-4-6-17-10-12/h4-6,10,18H,3,7-8,11H2,1-2H3/b14-13+