1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone

Systemtic Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone Openeye Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone CAS Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone IUPAC Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone Traditional Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-5-methyl-3-tridecyl-2,3-dihydrofuran-2-yl]ethanone Formula: C27H39NO2S2 MolecularWeight: 473.73406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(OC(=C1SC2=NC3=CC=CC=C3S2)C)C(=O)C

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1[C@H](OC(=C1SC2=NC3=CC=CC=C3S2)C)C(=O)C

InChI

InChI=1S/C27H39NO2S2/c1-4-5-6-7-8-9-10-11-12-13-14-17-22-25(20(2)29)30-21(3)26(22)32-27-28-23-18-15-16-19-24(23)31-27/h15-16,18-19,22,25H,4-14,17H2,1-3H3/t22-,25-/m1/s1