methyl (2R)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[(3-fluoranyl-4-methyl-phenyl)carbamothioyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[(3-fluoro-4-methyl-phenyl)carbamothioyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(3-fluoro-4-methylanilino)-sulfanylidenemethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[(3-fluoro-4-methylphenyl)carbamothioyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[(3-fluoro-4-methyl-phenyl)thiocarbamoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C14H17FN2O2S2 MolecularWeight: 328.425383

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=S)N2CCSC(C2)C(=O)OC)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=S)N2CCS[C@H](C2)C(=O)OC)F

InChI

InChI=1S/C14H17FN2O2S2/c1-9-3-4-10(7-11(9)15)16-14(20)17-5-6-21-12(8-17)13(18)19-2/h3-4,7,12H,5-6,8H2,1-2H3,(H,16,20)/t12-/m1/s1