(2S,4S)-2-[4-(4-tert-butylphenyl)carbonyloxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate

Systemtic Name: (2S,4S)-2-[4-(4-tert-butylphenyl)carbonyloxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Openeye Name: (2S,4S)-2-[4-(4-tert-butylbenzoyl)oxyphenyl]thiazolidin-3-ium-4-carboxylate CAS Name: (2S,4S)-2-[4-[(4-tert-butylphenyl)-oxomethoxy]phenyl]-4-thiazolidin-3-iumcarboxylate IUPAC Name: (2S,4S)-2-[4-(4-tert-butylbenzoyl)oxyphenyl]-1,3-thiazolidin-3-ium-4-carboxylate Traditional Name: (2S,4S)-2-[4-(4-tert-butylbenzoyl)oxyphenyl]thiazolidin-3-ium-4-carboxylate Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3[NH2+]C(CS3)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[C@H]3[NH2+][C@H](CS3)C(=O)[O-]

InChI

InChI=1S/C21H23NO4S/c1-21(2,3)15-8-4-14(5-9-15)20(25)26-16-10-6-13(7-11-16)18-22-17(12-27-18)19(23)24/h4-11,17-18,22H,12H2,1-3H3,(H,23,24)/t17-,18+/m1/s1