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

Systemtic Name: ethyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-(phenylmethylsulfanyl)prop-2-enoate Openeye Name: ethyl (E)-3-benzylsulfanyl-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(phenylmethylthio)-2-propenoic acid ethyl ester IUPAC Name: ethyl (E)-3-benzylsulfanyl-3-[(6-chloropyridin-3-yl)methylamino]-2-cyanoprop-2-enoate Traditional Name: (E)-3-(benzylthio)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-acrylic acid ethyl ester Formula: C19H18ClN3O2S MolecularWeight: 387.88312

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=C(NCC1=CN=C(C=C1)Cl)SCC2=CC=CC=C2)C#N

Isomeric SMILES

CCOC(=O)/C(=C(\NCC1=CN=C(C=C1)Cl)/SCC2=CC=CC=C2)/C#N

InChI

InChI=1S/C19H18ClN3O2S/c1-2-25-19(24)16(10-21)18(26-13-14-6-4-3-5-7-14)23-12-15-8-9-17(20)22-11-15/h3-9,11,23H,2,12-13H2,1H3/b18-16+