2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-morpholin-4-ylpyridazin-3-yl)methylamino]prop-2-enoate

Systemtic Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-morpholin-4-ylpyridazin-3-yl)methylamino]prop-2-enoate Openeye Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-morpholinopyridazin-3-yl)methylamino]prop-2-enoate CAS Name: (E)-2-cyano-3-(methylthio)-3-[[6-(4-morpholinyl)-3-pyridazinyl]methylamino]-2-propenoic acid 2-ethoxyethyl ester IUPAC Name: 2-ethoxyethyl (E)-2-cyano-3-methylsulfanyl-3-[(6-morpholin-4-ylpyridazin-3-yl)methylamino]prop-2-enoate Traditional Name: (E)-2-cyano-3-(methylthio)-3-[(6-morpholinopyridazin-3-yl)methylamino]acrylic acid 2-ethoxyethyl ester Formula: C18H25N5O4S MolecularWeight: 407.4872

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCOC(=O)C(=C(NCC1=NN=C(C=C1)N2CCOCC2)SC)C#N

Isomeric SMILES

CCOCCOC(=O)/C(=C(\NCC1=NN=C(C=C1)N2CCOCC2)/SC)/C#N

InChI

InChI=1S/C18H25N5O4S/c1-3-25-10-11-27-18(24)15(12-19)17(28-2)20-13-14-4-5-16(22-21-14)23-6-8-26-9-7-23/h4-5,20H,3,6-11,13H2,1-2H3/b17-15+