tert-butyl (2S)-2-[(S)-(2-methylphenyl)sulfanyl-phenyl-methyl]morpholine-4-carboxylate

Systemtic Name: tert-butyl (2S)-2-[(S)-(2-methylphenyl)sulfanyl-phenyl-methyl]morpholine-4-carboxylate Openeye Name: tert-butyl (2S)-2-[(S)-o-tolylsulfanyl(phenyl)methyl]morpholine-4-carboxylate CAS Name: (2S)-2-[(S)-[(2-methylphenyl)thio]-phenylmethyl]-4-morpholinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl (2S)-2-[(S)-(2-methylphenyl)sulfanyl-phenylmethyl]morpholine-4-carboxylate Traditional Name: (2S)-2-[(S)-(o-tolylthio)-phenyl-methyl]morpholine-4-carboxylic acid tert-butyl ester Formula: C23H29NO3S MolecularWeight: 399.54626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SC(C2CN(CCO2)C(=O)OC(C)(C)C)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1S[C@H]([C@@H]2CN(CCO2)C(=O)OC(C)(C)C)C3=CC=CC=C3

InChI

InChI=1S/C23H29NO3S/c1-17-10-8-9-13-20(17)28-21(18-11-6-5-7-12-18)19-16-24(14-15-26-19)22(25)27-23(2,3)4/h5-13,19,21H,14-16H2,1-4H3/t19-,21-/m0/s1