(2R,3S)-2-methyl-3-oxidanyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-3-yl]octadecan-1-one

Systemtic Name: (2R,3S)-2-methyl-3-oxidanyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-3-yl]octadecan-1-one Openeye Name: (2R,3S)-1-[(4S)-4-benzyl-2-thioxo-thiazolidin-3-yl]-3-hydroxy-2-methyl-octadecan-1-one CAS Name: (2R,3S)-3-hydroxy-2-methyl-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-3-thiazolidinyl]-1-octadecanone IUPAC Name: (2R,3S)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methyloctadecan-1-one Traditional Name: (2R,3S)-1-[(4S)-4-benzyl-2-thioxo-thiazolidin-3-yl]-3-hydroxy-2-methyl-octadecan-1-one Formula: C29H47NO2S2 MolecularWeight: 505.81898

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(C(C)C(=O)N1C(CSC1=S)CC2=CC=CC=C2)O

Isomeric SMILES

CCCCCCCCCCCCCCC[C@@H]([C@@H](C)C(=O)N1[C@H](CSC1=S)CC2=CC=CC=C2)O

InChI

InChI=1S/C29H47NO2S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-18-21-27(31)24(2)28(32)30-26(23-34-29(30)33)22-25-19-16-15-17-20-25/h15-17,19-20,24,26-27,31H,3-14,18,21-23H2,1-2H3/t24-,26+,27+/m1/s1