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

Systemtic Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-methyl-2,3-dihydrofuran-2-yl]ethanone Openeye Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-methyl-2,3-dihydrofuran-2-yl]ethanone CAS Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-3-heptyl-5-methyl-2,3-dihydrofuran-2-yl]ethanone IUPAC Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-methyl-2,3-dihydrofuran-2-yl]ethanone Traditional Name: 1-[(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-3-heptyl-5-methyl-2,3-dihydrofuran-2-yl]ethanone Formula: C21H27NO2S2 MolecularWeight: 389.57458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(OC(=C1SC2=NC3=CC=CC=C3S2)C)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H27NO2S2/c1-4-5-6-7-8-11-16-19(14(2)23)24-15(3)20(16)26-21-22-17-12-9-10-13-18(17)25-21/h9-10,12-13,16,19H,4-8,11H2,1-3H3/t16-,19-/m1/s1