(2S,3R)-2-methyl-3-oxidanyl-7-phenylmethoxy-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-3-yl]heptan-1-one

Systemtic Name: (2S,3R)-2-methyl-3-oxidanyl-7-phenylmethoxy-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-1,3-thiazolidin-3-yl]heptan-1-one Openeye Name: (2S,3R)-7-benzyloxy-1-[(4S)-4-benzyl-2-thioxo-thiazolidin-3-yl]-3-hydroxy-2-methyl-heptan-1-one CAS Name: (2S,3R)-3-hydroxy-2-methyl-7-phenylmethoxy-1-[(4S)-4-(phenylmethyl)-2-sulfanylidene-3-thiazolidinyl]-1-heptanone IUPAC Name: (2S,3R)-1-[(4S)-4-benzyl-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-hydroxy-2-methyl-7-phenylmethoxyheptan-1-one Traditional Name: (2S,3R)-7-benzoxy-1-[(4S)-4-benzyl-2-thioxo-thiazolidin-3-yl]-3-hydroxy-2-methyl-heptan-1-one Formula: C25H31NO3S2 MolecularWeight: 457.64854

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(CCCCOCC1=CC=CC=C1)O)C(=O)N2C(CSC2=S)CC3=CC=CC=C3

Isomeric SMILES

C[C@@H]([C@@H](CCCCOCC1=CC=CC=C1)O)C(=O)N2[C@H](CSC2=S)CC3=CC=CC=C3

InChI

InChI=1S/C25H31NO3S2/c1-19(23(27)14-8-9-15-29-17-21-12-6-3-7-13-21)24(28)26-22(18-31-25(26)30)16-20-10-4-2-5-11-20/h2-7,10-13,19,22-23,27H,8-9,14-18H2,1H3/t19-,22-,23+/m0/s1