2-ethoxyethyl (E)-2-cyano-3-[(6-ethoxypyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[(6-ethoxypyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[(6-ethoxy-3-pyridyl)methylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(6-ethoxy-3-pyridinyl)methylamino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[(6-ethoxypyridin-3-yl)methylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(6-ethoxy-3-pyridyl)methylamino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C17H23N3O4S MolecularWeight: 365.44722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N3O4S/c1-4-22-8-9-24-17(21)14(10-18)16(25-3)20-12-13-6-7-15(19-11-13)23-5-2/h6-7,11,20H,4-5,8-9,12H2,1-3H3/b16-14+