4-[[(2R)-2-tert-butyl-3-methanoyl-1,3-thiazolidin-4-yl]methyl]benzoic acid

Systemtic Name: 4-[[(2R)-2-tert-butyl-3-methanoyl-1,3-thiazolidin-4-yl]methyl]benzoic acid Openeye Name: 4-[[(2R)-2-tert-butyl-3-formyl-thiazolidin-4-yl]methyl]benzoic acid CAS Name: 4-[[(2R)-2-tert-butyl-3-formyl-4-thiazolidinyl]methyl]benzoic acid IUPAC Name: 4-[[(2R)-2-tert-butyl-3-formyl-1,3-thiazolidin-4-yl]methyl]benzoic acid Traditional Name: 4-[[(2R)-2-tert-butyl-3-formyl-thiazolidin-4-yl]methyl]benzoic acid Formula: C16H21NO3S MolecularWeight: 307.40784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1N(C(CS1)CC2=CC=C(C=C2)C(=O)O)C=O

Isomeric SMILES

CC(C)(C)[C@@H]1N(C(CS1)CC2=CC=C(C=C2)C(=O)O)C=O

InChI

InChI=1S/C16H21NO3S/c1-16(2,3)15-17(10-18)13(9-21-15)8-11-4-6-12(7-5-11)14(19)20/h4-7,10,13,15H,8-9H2,1-3H3,(H,19,20)/t13?,15-/m1/s1