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

Systemtic Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-phenyl-2,3-dihydrofuran-2-yl]-phenyl-methanone Openeye Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-phenyl-2,3-dihydrofuran-2-yl]-phenyl-methanone CAS Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-3-heptyl-5-phenyl-2,3-dihydrofuran-2-yl]-phenylmethanone IUPAC Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylsulfanyl)-3-heptyl-5-phenyl-2,3-dihydrofuran-2-yl]-phenylmethanone Traditional Name: [(2S,3R)-4-(1,3-benzothiazol-2-ylthio)-3-heptyl-5-phenyl-2,3-dihydrofuran-2-yl]-phenyl-methanone Formula: C31H31NO2S2 MolecularWeight: 513.71334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1C(OC(=C1SC2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C(=O)C5=CC=CC=C5

Isomeric SMILES

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

InChI

InChI=1S/C31H31NO2S2/c1-2-3-4-5-12-19-24-29(27(33)22-15-8-6-9-16-22)34-28(23-17-10-7-11-18-23)30(24)36-31-32-25-20-13-14-21-26(25)35-31/h6-11,13-18,20-21,24,29H,2-5,12,19H2,1H3/t24-,29+/m1/s1