methyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enoate

Systemtic Name: methyl (E)-3-azanyl-3-butylsulfanyl-2-cyano-prop-2-enoate Openeye Name: methyl (E)-3-amino-3-butylsulfanyl-2-cyano-prop-2-enoate CAS Name: (E)-3-amino-3-(butylthio)-2-cyano-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-amino-3-butylsulfanyl-2-cyanoprop-2-enoate Traditional Name: (E)-3-amino-3-(butylthio)-2-cyano-acrylic acid methyl ester Formula: C9H14N2O2S MolecularWeight: 214.28466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCS/C(=C(\C#N)/C(=O)OC)/N

InChI

InChI=1S/C9H14N2O2S/c1-3-4-5-14-8(11)7(6-10)9(12)13-2/h3-5,11H2,1-2H3/b8-7+