methyl (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoate

Systemtic Name: methyl (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoate Openeye Name: methyl (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoate CAS Name: (3E)-3-ethoxyimino-2-[[4-[2-(phenylthio)ethoxy]phenyl]methyl]butanoic acid methyl ester IUPAC Name: methyl (3E)-3-ethoxyimino-2-[[4-(2-phenylsulfanylethoxy)phenyl]methyl]butanoate Traditional Name: (3E)-3-ethyloximino-2-[4-[2-(phenylthio)ethoxy]benzyl]butyric acid methyl ester Formula: C22H27NO4S MolecularWeight: 401.51908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCON=C(C)C(CC1=CC=C(C=C1)OCCSC2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CCO/N=C(\C)/C(CC1=CC=C(C=C1)OCCSC2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C22H27NO4S/c1-4-27-23-17(2)21(22(24)25-3)16-18-10-12-19(13-11-18)26-14-15-28-20-8-6-5-7-9-20/h5-13,21H,4,14-16H2,1-3H3/b23-17+