methyl 3,3-bis(butylsulfanyl)-2-cyano-prop-2-enoate

Systemtic Name: methyl 3,3-bis(butylsulfanyl)-2-cyano-prop-2-enoate Openeye Name: methyl 3,3-bis(butylsulfanyl)-2-cyano-prop-2-enoate CAS Name: 3,3-bis(butylthio)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl 3,3-bis(butylsulfanyl)-2-cyanoprop-2-enoate Traditional Name: 3,3-bis(butylthio)-2-cyano-acrylic acid methyl ester Formula: C13H21NO2S2 MolecularWeight: 287.44134

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC(=C(C#N)C(=O)OC)SCCCC

Isomeric SMILES

CCCCSC(=C(C#N)C(=O)OC)SCCCC

InChI

InChI=1S/C13H21NO2S2/c1-4-6-8-17-13(18-9-7-5-2)11(10-14)12(15)16-3/h4-9H2,1-3H3