tert-butyl N-[(1R,2S,3S,4S)-2-(4-methoxyphenyl)-3-oxidanyl-1-oxidanylidene-thian-4-yl]carbamate

Systemtic Name: tert-butyl N-[(1R,2S,3S,4S)-2-(4-methoxyphenyl)-3-oxidanyl-1-oxidanylidene-thian-4-yl]carbamate Openeye Name: tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxo-thian-4-yl]carbamate CAS Name: N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxo-4-thianyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(1R,2S,3S,4S)-3-hydroxy-2-(4-methoxyphenyl)-1-oxothian-4-yl]carbamate Traditional Name: N-[(1R,2S,3S,4S)-3-hydroxy-1-keto-2-(4-methoxyphenyl)thian-4-yl]carbamic acid tert-butyl ester Formula: C17H25NO5S MolecularWeight: 355.4491

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1CCS(=O)C(C1O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(C)(C)OC(=O)N[C@H]1CC[S@@](=O)[C@H]([C@H]1O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C17H25NO5S/c1-17(2,3)23-16(20)18-13-9-10-24(21)15(14(13)19)11-5-7-12(22-4)8-6-11/h5-8,13-15,19H,9-10H2,1-4H3,(H,18,20)/t13-,14-,15-,24+/m0/s1