(2S,3R,4S)-2,4-dimethyl-3-oxidanyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-oxazolidin-3-yl]hexan-1-one

Systemtic Name: (2S,3R,4S)-2,4-dimethyl-3-oxidanyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-oxazolidin-3-yl]hexan-1-one Openeye Name: (2S,3R,4S)-1-[(4S)-4-benzyl-2-thioxo-oxazolidin-3-yl]-3-hydroxy-2,4-dimethyl-hexan-1-one CAS Name: (2S,3R,4S)-3-hydroxy-2,4-dimethyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-3-oxazolidinyl]-1-hexanone IUPAC Name: (2S,3R,4S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-oxazolidin-3-yl]-3-hydroxy-2,4-dimethylhexan-1-one Traditional Name: (2S,3R,4S)-1-[(4S)-4-benzyl-2-thioxo-oxazolidin-3-yl]-3-hydroxy-2,4-dimethyl-hexan-1-one Formula: C18H25NO3S MolecularWeight: 335.461

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(C)C(=O)N1C(COC1=S)CC2=CC=CC=C2)O

Isomeric SMILES

CC[C@H](C)[C@H]([C@H](C)C(=O)N1[C@H](COC1=S)CC2=CC=CC=C2)O

InChI

InChI=1S/C18H25NO3S/c1-4-12(2)16(20)13(3)17(21)19-15(11-22-18(19)23)10-14-8-6-5-7-9-14/h5-9,12-13,15-16,20H,4,10-11H2,1-3H3/t12-,13-,15-,16+/m0/s1