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

Systemtic Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-phenyl-3-tridecyl-2,3-dihydrofuran-2-yl]-phenyl-methanone Openeye Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-phenyl-3-tridecyl-2,3-dihydrofuran-2-yl]-phenyl-methanone CAS Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-5-phenyl-3-tridecyl-2,3-dihydrofuran-2-yl]-phenylmethanone IUPAC Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-5-phenyl-3-tridecyl-2,3-dihydrofuran-2-yl]-phenylmethanone Traditional Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-5-phenyl-3-tridecyl-2,3-dihydrofuran-2-yl]-phenyl-methanone Formula: C37H43NO2S2 MolecularWeight: 597.87282

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC1C(OC(=C1SC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

CCCCCCCCCCCCC[C@@H]1[C@H](OC(=C1SC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

InChI

InChI=1S/C37H43NO2S2/c1-2-3-4-5-6-7-8-9-10-11-18-25-30-35(33(39)28-21-14-12-15-22-28)40-34(29-23-16-13-17-24-29)36(30)42-37-38-31-26-19-20-27-32(31)41-37/h12-17,19-24,26-27,30,35H,2-11,18,25H2,1H3/t30-,35+/m1/s1