[2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxidanylidene-ethyl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[(3-cyano-2-thienyl)amino]-2-oxo-ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [2-[(3-cyano-2-thiophenyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [2-[(3-cyano-2-thienyl)amino]-2-keto-ethyl] ester Formula: C17H13N3O4S MolecularWeight: 355.36782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NC1=C(C=CS1)C#N)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NC1=C(C=CS1)C#N)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C17H13N3O4S/c1-11(24-14-4-2-12(8-18)3-5-14)17(22)23-10-15(21)20-16-13(9-19)6-7-25-16/h2-7,11H,10H2,1H3,(H,20,21)/t11-/m0/s1