prop-2-enyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate

Systemtic Name: prop-2-enyl (E)-3-[(6-chloranylpyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate Openeye Name: allyl (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-ethylsulfanyl-prop-2-enoate CAS Name: (E)-3-[(6-chloro-3-pyridinyl)methylamino]-2-cyano-3-(ethylthio)-2-propenoic acid prop-2-enyl ester IUPAC Name: prop-2-enyl (E)-3-[(6-chloropyridin-3-yl)methylamino]-2-cyano-3-ethylsulfanylprop-2-enoate Traditional Name: (E)-3-[(6-chloro-3-pyridyl)methylamino]-2-cyano-3-(ethylthio)acrylic acid allyl ester Formula: C15H16ClN3O2S MolecularWeight: 337.82444

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Descriptors Computed from Structure

Canonical SMILES:

CCSC(=C(C#N)C(=O)OCC=C)NCC1=CN=C(C=C1)Cl

Isomeric SMILES

CCS/C(=C(\C#N)/C(=O)OCC=C)/NCC1=CN=C(C=C1)Cl

InChI

InChI=1S/C15H16ClN3O2S/c1-3-7-21-15(20)12(8-17)14(22-4-2)19-10-11-5-6-13(16)18-9-11/h3,5-6,9,19H,1,4,7,10H2,2H3/b14-12+