ethyl 2-(2-cyanoethanoylamino)-3-sulfanyl-propanoate

Systemtic Name: ethyl 2-(2-cyanoethanoylamino)-3-sulfanyl-propanoate Openeye Name: ethyl 2-[(2-cyanoacetyl)amino]-3-sulfanyl-propanoate CAS Name: 2-[(2-cyano-1-oxoethyl)amino]-3-mercaptopropanoic acid ethyl ester IUPAC Name: ethyl 2-[(2-cyanoacetyl)amino]-3-sulfanylpropanoate Traditional Name: 2-[(2-cyanoacetyl)amino]-3-mercapto-propionic acid ethyl ester Formula: C8H12N2O3S MolecularWeight: 216.25748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CS)NC(=O)CC#N

Isomeric SMILES

CCOC(=O)C(CS)NC(=O)CC#N

InChI

InChI=1S/C8H12N2O3S/c1-2-13-8(12)6(5-14)10-7(11)3-4-9/h6,14H,2-3,5H2,1H3,(H,10,11)