[(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate

Systemtic Name: [(2S)-1-[(4-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-thiophen-2-ylpropanoate Openeye Name: [(1S)-2-(4-cyanoanilino)-1-methyl-2-oxo-ethyl] 3-(2-thienyl)propanoate CAS Name: 3-thiophen-2-ylpropanoic acid [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(4-cyanoanilino)-1-oxopropan-2-yl] 3-thiophen-2-ylpropanoate Traditional Name: 3-(2-thienyl)propionic acid [(1S)-2-(4-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C17H16N2O3S MolecularWeight: 328.38554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCC2=CC=CS2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C#N)OC(=O)CCC2=CC=CS2

InChI

InChI=1S/C17H16N2O3S/c1-12(22-16(20)9-8-15-3-2-10-23-15)17(21)19-14-6-4-13(11-18)5-7-14/h2-7,10,12H,8-9H2,1H3,(H,19,21)/t12-/m0/s1