methyl 2-cyano-3-(2-cyanoethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate

Systemtic Name: methyl 2-cyano-3-(2-cyanoethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate Openeye Name: methyl 2-cyano-3-(2-cyanoethylsulfanyl)-3-phenacylsulfanyl-prop-2-enoate CAS Name: 2-cyano-3-(2-cyanoethylthio)-3-(phenacylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(2-cyanoethylsulfanyl)-3-phenacylsulfanylprop-2-enoate Traditional Name: 2-cyano-3-(2-cyanoethylthio)-3-(phenacylthio)acrylic acid methyl ester Formula: C16H14N2O3S2 MolecularWeight: 346.42396

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(SCCC#N)SCC(=O)C1=CC=CC=C1)C#N

Isomeric SMILES

COC(=O)C(=C(SCCC#N)SCC(=O)C1=CC=CC=C1)C#N

InChI

InChI=1S/C16H14N2O3S2/c1-21-15(20)13(10-18)16(22-9-5-8-17)23-11-14(19)12-6-3-2-4-7-12/h2-4,6-7H,5,9,11H2,1H3