ethyl 2-cyano-3-phenacylsulfanyl-3-(prop-2-enylamino)prop-2-enoate

Systemtic Name: ethyl 2-cyano-3-phenacylsulfanyl-3-(prop-2-enylamino)prop-2-enoate Openeye Name: ethyl 3-(allylamino)-2-cyano-3-phenacylsulfanyl-prop-2-enoate CAS Name: 2-cyano-3-(phenacylthio)-3-(prop-2-enylamino)-2-propenoic acid ethyl ester IUPAC Name: ethyl 2-cyano-3-phenacylsulfanyl-3-(prop-2-enylamino)prop-2-enoate Traditional Name: 3-(allylamino)-2-cyano-3-(phenacylthio)acrylic acid ethyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

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/h3,5-9,19H,1,4,10,12H2,2H3