methyl 2-cyano-3-(cyanoamino)-3-methylsulfanyl-prop-2-enoate

Systemtic Name: methyl 2-cyano-3-(cyanoamino)-3-methylsulfanyl-prop-2-enoate Openeye Name: methyl 2-cyano-3-(cyanoamino)-3-methylsulfanyl-prop-2-enoate CAS Name: 2-cyano-3-(cyanoamino)-3-(methylthio)-2-propenoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(cyanoamino)-3-methylsulfanylprop-2-enoate Traditional Name: 2-cyano-3-(cyanoamino)-3-(methylthio)acrylic acid methyl ester Formula: C7H7N3O2S MolecularWeight: 197.21438

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=C(NC#N)SC)C#N

Isomeric SMILES

COC(=O)C(=C(NC#N)SC)C#N

InChI

InChI=1S/C7H7N3O2S/c1-12-7(11)5(3-8)6(13-2)10-4-9/h10H,1-2H3