methyl (2R)-4-[3-[(4-tert-butylphenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-[3-[(4-tert-butylphenyl)carbonylamino]propanoyl]thiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-[3-[(4-tert-butylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate CAS Name: (2R)-4-[3-[[(4-tert-butylphenyl)-oxomethyl]amino]-1-oxopropyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-[3-[(4-tert-butylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylate Traditional Name: (2R)-4-[3-[(4-tert-butylbenzoyl)amino]propanoyl]thiomorpholine-2-carboxylic acid methyl ester Formula: C20H28N2O4S MolecularWeight: 392.51232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N2O4S/c1-20(2,3)15-7-5-14(6-8-15)18(24)21-10-9-17(23)22-11-12-27-16(13-22)19(25)26-4/h5-8,16H,9-13H2,1-4H3,(H,21,24)/t16-/m1/s1