ethyl (2R)-2-cyano-3-phenacylsulfanyl-3-prop-2-enylimino-propanoate

Systemtic Name: ethyl (2R)-2-cyano-3-phenacylsulfanyl-3-prop-2-enylimino-propanoate Openeye Name: ethyl (2R)-3-allylimino-2-cyano-3-phenacylsulfanyl-propanoate CAS Name: (2R)-2-cyano-3-(phenacylthio)-3-prop-2-enyliminopropanoic acid ethyl ester IUPAC Name: ethyl (2R)-2-cyano-3-phenacylsulfanyl-3-prop-2-enyliminopropanoate Traditional Name: (2R)-3-allylimino-2-cyano-3-(phenacylthio)propionic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(=NCC=C)SCC(=O)C1=CC=CC=C1

Isomeric SMILES

CCOC(=O)[C@@H](C#N)C(=NCC=C)SCC(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H18N2O3S/c1-3-10-19-16(14(11-18)17(21)22-4-2)23-12-15(20)13-8-6-5-7-9-13/h3,5-9,14H,1,4,10,12H2,2H3/t14-/m0/s1