(2R,3R)-2,5-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexan-1-one

Systemtic Name: (2R,3R)-2,5-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexan-1-one Openeye Name: (2R,3R)-3-benzyloxy-1-[(4S)-4-isopropyl-2-thioxo-thiazolidin-3-yl]-2,5-dimethyl-hexan-1-one CAS Name: (2R,3R)-2,5-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-3-thiazolidinyl]-1-hexanone IUPAC Name: (2R,3R)-2,5-dimethyl-3-phenylmethoxy-1-[(4S)-4-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-3-yl]hexan-1-one Traditional Name: (2R,3R)-3-benzoxy-1-[(4S)-4-isopropyl-2-thioxo-thiazolidin-3-yl]-2,5-dimethyl-hexan-1-one Formula: C21H31NO2S2 MolecularWeight: 393.60634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(C)C(=O)N1C(CSC1=S)C(C)C)OCC2=CC=CC=C2

Isomeric SMILES

C[C@H]([C@@H](CC(C)C)OCC1=CC=CC=C1)C(=O)N2[C@H](CSC2=S)C(C)C

InChI

InChI=1S/C21H31NO2S2/c1-14(2)11-19(24-12-17-9-7-6-8-10-17)16(5)20(23)22-18(15(3)4)13-26-21(22)25/h6-10,14-16,18-19H,11-13H2,1-5H3/t16-,18-,19-/m1/s1