methyl (2R)-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[4-[(tert-butoxycarbonylamino)methyl]benzoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[[4-[[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]methyl]phenyl]-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[4-[(tert-butoxycarbonylamino)methyl]benzoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C19H26N2O5S MolecularWeight: 394.48514

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCSC(C2)C(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N2CCS[C@H](C2)C(=O)OC

InChI

InChI=1S/C19H26N2O5S/c1-19(2,3)26-18(24)20-11-13-5-7-14(8-6-13)16(22)21-9-10-27-15(12-21)17(23)25-4/h5-8,15H,9-12H2,1-4H3,(H,20,24)/t15-/m1/s1