ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(2-methylpropylsulfanyl)prop-2-enoate

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(2-methylpropylsulfanyl)prop-2-enoate Openeye Name: ethyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-isobutylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(2-methylpropylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-(2-methylpropylsulfanyl)prop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(isobutylthio)acrylic acid ethyl ester Formula: C16H20ClN3O2S MolecularWeight: 353.8669

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC1=CN=C(C=C1)Cl)SCC(C)C)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NCC1=CN=C(C=C1)Cl)/SCC(C)C)/C#N

InChI

InChI=1S/C16H20ClN3O2S/c1-4-22-16(21)13(7-18)15(23-10-11(2)3)20-9-12-5-6-14(17)19-8-12/h5-6,8,11,20H,4,9-10H2,1-3H3/b15-13+