[(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [(2R)-1-oxidanylidene-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Openeye Name: [(1R)-1-methyl-2-oxo-2-(2-thienylmethylamino)ethyl] (2S)-2-(4-cyanophenoxy)propanoate CAS Name: (2S)-2-(4-cyanophenoxy)propanoic acid [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-(thiophen-2-ylmethylamino)propan-2-yl] (2S)-2-(4-cyanophenoxy)propanoate Traditional Name: (2S)-2-(4-cyanophenoxy)propionic acid [(1R)-2-keto-1-methyl-2-(2-thenylamino)ethyl] ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CS1)OC(=O)C(C)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CS1)OC(=O)[C@H](C)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C18H18N2O4S/c1-12(17(21)20-11-16-4-3-9-25-16)24-18(22)13(2)23-15-7-5-14(10-19)6-8-15/h3-9,12-13H,11H2,1-2H3,(H,20,21)/t12-,13+/m1/s1