2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]ethanoate

Systemtic Name: 2-[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]ethanoylamino]ethanoate Openeye Name: 2-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]acetate CAS Name: 2-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]-1-oxoethyl]amino]acetate IUPAC Name: 2-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)sulfanyl]acetyl]amino]acetate Traditional Name: 2-[[2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)thio]acetyl]amino]acetate Formula: C14H14N3O3S- MolecularWeight: 304.34426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NCC(=O)[O-])C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(=O)NCC(=O)[O-])C#N

InChI

InChI=1S/C14H15N3O3S/c15-6-10-5-9-3-1-2-4-11(9)17-14(10)21-8-12(18)16-7-13(19)20/h5H,1-4,7-8H2,(H,16,18)(H,19,20)/p-1