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

Systemtic Name: methyl (2R)-4-[2-(2-chloranyl-4-cyano-phenoxy)ethanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[2-(2-chloro-4-cyano-phenoxy)acetyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[2-(2-chloro-4-cyanophenoxy)-1-oxoethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[2-(2-chloro-4-cyanophenoxy)acetyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[2-(2-chloro-4-cyano-phenoxy)acetyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C15H15ClN2O4S MolecularWeight: 354.8086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CN(CCS1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

Isomeric SMILES

COC(=O)[C@H]1CN(CCS1)C(=O)COC2=C(C=C(C=C2)C#N)Cl

InChI

InChI=1S/C15H15ClN2O4S/c1-21-15(20)13-8-18(4-5-23-13)14(19)9-22-12-3-2-10(7-17)6-11(12)16/h2-3,6,13H,4-5,8-9H2,1H3/t13-/m1/s1