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

Systemtic Name: 2-methoxyethyl (E)-2-cyano-3-[(6-ethoxypyridin-3-yl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-methoxyethyl (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-methoxyethyl ester IUPAC Name: 2-methoxyethyl (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-methoxyethyl ester Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC=C(C=C1)CNC(=C(C#N)C(=O)OCCOC)SC

Isomeric SMILES

CCOC1=NC=C(C=C1)CN/C(=C(/C#N)\C(=O)OCCOC)/SC

InChI

InChI=1S/C16H21N3O4S/c1-4-22-14-6-5-12(10-18-14)11-19-15(24-3)13(9-17)16(20)23-8-7-21-2/h5-6,10,19H,4,7-8,11H2,1-3H3/b15-13+