2-ethoxyethyl (E)-2-cyano-3-[(2-ethoxypyrimidin-5-yl)methylamino]-3-methylsulfanyl-prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-[(2-ethoxypyrimidin-5-yl)methylamino]-3-methylsulfanyl-prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-[(2-ethoxypyrimidin-5-yl)methylamino]-3-methylsulfanyl-prop-2-enoate CAS Name: (E)-2-cyano-3-[(2-ethoxy-5-pyrimidinyl)methylamino]-3-(methylthio)-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-[(2-ethoxypyrimidin-5-yl)methylamino]-3-methylsulfanylprop-2-enoate Traditional Name: (E)-2-cyano-3-[(2-ethoxypyrimidin-5-yl)methylamino]-3-(methylthio)acrylic acid 2-ethoxyethyl ester Formula: C16H22N4O4S MolecularWeight: 366.43528

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N4O4S/c1-4-22-6-7-24-15(21)13(8-17)14(25-3)18-9-12-10-19-16(20-11-12)23-5-2/h10-11,18H,4-7,9H2,1-3H3/b14-13+