(2S)-N-[(Z)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide

Systemtic Name: (2S)-N-[(Z)-(3-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-2-(phenylmethylsulfanyl)propanamide Openeye Name: (2S)-N-[(Z)-(4-benzyloxy-3-ethoxy-phenyl)methyleneamino]-2-benzylsulfanyl-propanamide CAS Name: (2S)-N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2-(phenylmethylthio)propanamide IUPAC Name: (2S)-2-benzylsulfanyl-N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]propanamide Traditional Name: (2S)-N-[(Z)-(4-benzoxy-3-ethoxy-benzylidene)amino]-2-(benzylthio)propionamide Formula: C26H28N2O3S MolecularWeight: 448.57712

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=NNC(=O)C(C)SCC2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=N\NC(=O)[C@H](C)SCC2=CC=CC=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C26H28N2O3S/c1-3-30-25-16-23(14-15-24(25)31-18-21-10-6-4-7-11-21)17-27-28-26(29)20(2)32-19-22-12-8-5-9-13-22/h4-17,20H,3,18-19H2,1-2H3,(H,28,29)/b27-17-/t20-/m0/s1