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

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-propan-2-ylsulfanyl-prop-2-enoate Openeye Name: ethyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-isopropylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(propan-2-ylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-propan-2-ylsulfanylprop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(isopropylthio)acrylic acid ethyl ester Formula: C15H18ClN3O2S MolecularWeight: 339.84032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O2S/c1-4-21-15(20)12(7-17)14(22-10(2)3)19-9-11-5-6-13(16)18-8-11/h5-6,8,10,19H,4,9H2,1-3H3/b14-12+