methyl (2R)-4-[2-(4-cyano-2-methoxy-phenoxy)ethanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[2-(4-cyano-2-methoxy-phenoxy)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(4-cyano-2-methoxy-phenoxy)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(4-cyano-2-methoxyphenoxy)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(4-cyano-2-methoxyphenoxy)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(4-cyano-2-methoxy-phenoxy)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C16H18N2O5S MolecularWeight: 350.38952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OCC(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C16H18N2O5S/c1-21-13-7-11(8-17)3-4-12(13)23-10-15(19)18-5-6-24-14(9-18)16(20)22-2/h3-4,7,14H,5-6,9-10H2,1-2H3/t14-/m1/s1