methyl (2R)-4-(4-tert-butylphenyl)carbonylthiomorpholine-2-carboxylate

Systemtic Name: methyl (2R)-4-(4-tert-butylphenyl)carbonylthiomorpholine-2-carboxylate Openeye Name: methyl (2R)-4-(4-tert-butylbenzoyl)thiomorpholine-2-carboxylate CAS Name: (2R)-4-[(4-tert-butylphenyl)-oxomethyl]-2-thiomorpholinecarboxylic acid methyl ester IUPAC Name: methyl (2R)-4-(4-tert-butylbenzoyl)thiomorpholine-2-carboxylate Traditional Name: (2R)-4-(4-tert-butylbenzoyl)thiomorpholine-2-carboxylic acid methyl ester Formula: C17H23NO3S MolecularWeight: 321.43442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3S/c1-17(2,3)13-7-5-12(6-8-13)15(19)18-9-10-22-14(11-18)16(20)21-4/h5-8,14H,9-11H2,1-4H3/t14-/m1/s1