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

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-propoxypyridin-3-yl)methylamino]prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-propoxy-3-pyridyl)methylamino]prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[(6-propoxy-3-pyridinyl)methylamino]-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-propoxypyridin-3-yl)methylamino]prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-[(6-propoxy-3-pyridyl)methylamino]acrylic acid 2-ethoxyethyl ester Formula: C18H25N3O4S MolecularWeight: 379.4738

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC=C(C=C1)CNC(=C(C#N)C(=O)OCCOCC)SC

Isomeric SMILES

CCCOC1=NC=C(C=C1)CN/C(=C(/C#N)\C(=O)OCCOCC)/SC

InChI

InChI=1S/C18H25N3O4S/c1-4-8-24-16-7-6-14(12-20-16)13-21-17(26-3)15(11-19)18(22)25-10-9-23-5-2/h6-7,12,21H,4-5,8-10,13H2,1-3H3/b17-15+